data_2d8z_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 2d8z _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 ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.72 139.71 12.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.6 t -43.56 144.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -96.71 -25.38 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.0 tp-100 -60.17 -68.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -90.52 -13.4 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.8 mmmt 73.28 48.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -124.84 161.84 46.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 148.27 64.47 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.2 mt -117.35 109.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -94.87 -57.67 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -129.24 154.22 47.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.43 81.84 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.438 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -142.32 168.06 25.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 HG13 ' C ' ' A' ' 19' ' ' GLY . 2.9 m -143.08 -175.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.175 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.39 153.73 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -158.93 114.53 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.575 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER 65.79 46.65 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.63 35.63 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -144.4 141.26 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.02 67.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 75.7 m95 -151.01 133.88 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -71.19 147.13 48.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.0 -6.28 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -116.77 -16.91 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.2 m -90.71 -33.09 15.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 3.5 t80 -76.07 48.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 34.0 m -97.79 -178.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.04 167.56 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.6 m -104.72 -4.0 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.21 -37.62 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.5 p -117.11 -3.62 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 51.26 49.64 20.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -95.6 131.57 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 57.9 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.6 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.3 mm? -31.7 -55.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -42.82 -66.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.924 0.393 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.69 140.96 16.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 t -43.52 144.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.28 -24.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.2 tp-100 -61.01 -66.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.5 p -93.04 -11.43 33.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.7 mmmt 71.25 49.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 mptt -126.24 161.03 54.48 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.53 65.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.276 . . . . 0.0 112.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.2 mt -118.11 110.35 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.5 p -94.55 -58.92 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -131.42 148.51 52.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.38 80.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.444 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -142.29 173.15 23.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG12 ' C ' ' A' ' 19' ' ' GLY . 3.4 m -145.73 -175.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.58 156.23 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.9 t80 -163.06 117.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.556 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 6.0 mpt_? 65.62 41.55 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.1 34.55 11.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.74 143.44 21.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.699 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 26' ' ' PRO . 59.2 m95 -157.2 137.82 13.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.48 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -73.53 145.61 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -61.83 -7.51 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.53 -17.31 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 75.5 m -90.18 -34.62 15.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -75.97 49.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -99.97 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 t -60.1 168.1 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 m -105.64 -6.69 19.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.75 -37.32 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.56 -7.72 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 55.38 49.52 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -100.42 130.13 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 5.7 mp -33.52 -51.16 0.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -47.12 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.2 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.916 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.27 138.6 13.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.6 t -42.9 143.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.5 m -97.07 -24.14 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.599 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -61.14 -67.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.05 -11.73 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 72.04 49.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 3.7 mptt -126.15 160.15 58.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.42 65.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.8 mt -117.64 104.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 p -93.28 -37.68 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 18' ' ' GLY . 97.9 m -146.97 163.17 37.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.475 ' N ' ' CG2' ' A' ' 17' ' ' THR . . . 47.34 79.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 173.23 23.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.98 -175.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.35 147.9 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.4 t80 -155.99 117.38 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.07 45.37 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 59.55 35.51 22.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -145.28 141.6 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 153.35 68.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.6 m95 -153.97 135.15 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -72.63 143.86 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -57.94 -11.19 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.42 -24.21 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 99.1 m -83.78 -30.4 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -78.64 44.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 33.7 m -93.63 179.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.5 t -65.57 167.98 8.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.7 m -105.51 -4.7 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 -34.4 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -120.45 -7.75 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 mmt180 55.97 50.07 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -98.18 131.99 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 41.1 mt -32.78 -55.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -44.3 -64.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 41.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.889 0.375 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.91 139.24 13.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -43.75 145.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.5 m -98.25 -25.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.608 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.71 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -94.26 -11.25 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.26 49.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.12 160.74 55.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.05 66.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.5 mt -118.8 109.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.1 p -95.32 -55.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -131.04 150.01 52.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.82 81.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.15 170.23 25.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.71 -175.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 149.5 40.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -155.9 117.23 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.566 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.17 43.91 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.23 35.28 18.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.67 142.56 19.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.81 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.608 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.5 m95 -153.35 134.82 14.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.49 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.3 m170 -72.48 144.64 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -58.43 -10.89 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -110.96 -23.13 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 94.7 m -84.63 -30.37 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.25 44.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.402 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 31.0 m -93.82 179.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.6 t -62.74 168.52 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.2 m -105.16 -6.62 19.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.01 -37.76 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.81 -4.32 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 29.3 mmt-85 51.62 49.25 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -98.99 137.57 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.2 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.1 mt -31.91 -56.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -41.75 -61.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.953 0.406 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.83 141.55 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.7 t -45.29 144.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.3 m -97.57 -25.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -60.03 -66.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.0 p -93.13 -11.47 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.6 mmmt 71.54 49.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.06 161.48 51.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.53 66.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.513 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.0 mt -118.76 111.64 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.35 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 m -130.69 151.56 51.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.4 78.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -140.55 168.43 25.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 19' ' ' GLY . 3.1 m -142.01 -175.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.11 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 155.4 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.1 t80 -162.48 117.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.8 mpt_? 65.74 42.62 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 62.43 35.15 15.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -144.8 142.33 18.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.551 0.691 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.3 Cg_endo -69.74 153.16 69.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.5 m95 -153.96 134.02 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.513 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -70.99 147.65 48.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -63.65 -5.57 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -118.45 -11.12 10.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.1 m -96.21 -31.93 12.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -77.6 46.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.97 -176.79 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 t -68.03 169.58 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 m -107.16 -8.53 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.3 -34.18 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.5 p -121.75 -1.8 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 48.46 49.64 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -94.88 137.54 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 17.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.4 mm? -32.63 -57.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -41.85 -68.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.66 140.89 16.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.6 t -44.16 143.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 m -97.04 -24.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.5 tp60 -61.17 -67.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -91.39 -12.05 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.19 49.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.21 160.96 54.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.37 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.1 mt -122.06 114.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -102.78 -55.9 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 18' ' ' GLY . 21.1 m -128.52 145.54 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.459 ' N ' HG22 ' A' ' 17' ' ' THR . . . 63.74 79.25 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -139.1 167.3 25.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG12 ' C ' ' A' ' 19' ' ' GLY . 3.1 m -143.39 -175.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.087 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.76 157.43 45.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.6 t80 -163.39 115.33 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.577 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.4 mpt_? 65.7 44.11 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.11 34.91 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -144.51 142.67 19.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.68 154.28 68.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 65.9 m95 -155.1 137.68 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.6 m170 -74.0 148.36 42.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.52 -6.55 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.87 -16.48 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 95.9 m -91.25 -32.54 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.23 47.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 m -98.31 -179.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.31 167.32 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.5 m -104.32 -5.8 21.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.18 -41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -112.68 -8.28 13.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 55.95 48.37 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -100.36 131.38 46.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.895 0.379 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' CYS . 90.0 mt -32.47 -52.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.38 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 57.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.92 0.391 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.62 140.22 15.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LYS . 10.2 t -43.6 142.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 m -97.04 -23.56 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.3 tp60 -61.69 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -92.02 -13.73 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 20.7 mmmt 74.18 49.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.0 mptt -126.02 160.9 54.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.4 mt -121.39 110.76 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -97.31 -63.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -123.35 136.14 54.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.71 82.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -144.71 163.21 27.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 HG13 ' C ' ' A' ' 19' ' ' GLY . 4.0 m -137.83 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.7 t80 -162.46 115.04 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.04 43.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 62.18 34.98 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -144.85 142.21 18.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.478 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.71 154.81 67.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.4 m95 -155.41 136.46 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -73.06 145.5 46.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -60.18 -9.2 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -113.03 -21.29 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.4 m -86.72 -31.81 20.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -76.88 48.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.426 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 35.5 m -97.52 -179.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.36 168.42 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.0 m -104.99 -5.66 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.39 -33.33 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.058 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.7 p -122.57 3.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.426 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 51.0 mmt-85 43.7 50.94 6.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -97.96 129.39 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 55.0 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.6 mp -33.19 -51.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.24 -70.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.914 0.388 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.68 141.25 15.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.8 t -45.24 143.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 m -96.18 -24.75 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.81 -66.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.8 p -92.65 -13.98 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.7 mmmt 74.69 46.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.85 161.6 45.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.6 69.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.487 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -121.06 113.88 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 p -99.51 -61.06 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 18' ' ' GLY . 24.2 m -127.51 145.81 50.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 17' ' ' THR . . . 65.63 82.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.88 174.18 23.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.6 -175.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.943 0.401 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 146.53 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -153.07 116.99 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 66.32 46.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.59 35.92 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -145.24 142.88 18.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.479 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.7 m95 -154.73 137.76 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.5 m170 -73.87 148.66 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -63.97 -6.11 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -117.16 -15.63 10.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.7 m -91.12 -34.41 15.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -75.88 50.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 30.3 m -102.46 176.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.2 t -61.79 166.17 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.8 m -104.56 -2.14 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.22 -38.61 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.0 p -115.85 -12.43 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 23.7 mmm180 63.06 42.78 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 33.9 mtmt -90.65 131.42 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 77.2 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 24.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 16.8 mt -33.62 -57.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -44.58 -65.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.6 140.57 13.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -44.1 144.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.6 m -97.17 -25.66 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.47 -66.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.38 -11.68 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.42 50.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.6 mptt -126.28 161.42 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.51 68.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.4 mt -121.91 113.87 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -99.3 -59.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -128.63 143.51 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -140.05 163.52 26.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 HG12 ' C ' ' A' ' 19' ' ' GLY . 4.3 m -137.1 -175.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.02 146.42 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -153.28 116.45 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 66.24 46.49 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 58.82 35.61 24.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -144.91 142.27 18.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.453 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.1 Cg_endo -69.78 153.1 69.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.8 m95 -154.31 138.17 16.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.521 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.9 m170 -74.85 145.96 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.05 -8.05 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.14 -20.06 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 96.3 m -88.04 -32.86 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -75.78 49.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 33.4 m -100.35 175.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.92 168.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.0 m -106.68 -2.6 21.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.22 -34.6 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 p -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.42 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.6 mmm180 57.12 49.91 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -98.32 129.78 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.66 -58.67 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -44.21 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.14 141.09 15.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.0 t -44.14 143.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.5 m -96.93 -24.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -60.26 -66.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.1 p -92.34 -12.03 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.2 mmmt 72.12 49.99 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.38 161.52 51.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.34 68.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.509 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.6 113.95 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -98.98 -59.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 m -128.35 144.31 51.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.39 81.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -142.14 167.9 25.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.441 HG13 ' C ' ' A' ' 19' ' ' GLY . 3.5 m -141.05 -175.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.7 149.77 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.9 t80 -156.7 116.62 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.552 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.5 mpt_? 65.97 45.38 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 60.17 35.61 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -144.76 141.98 18.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.543 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.76 155.33 66.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 64.0 m95 -156.42 138.11 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.509 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -74.65 145.98 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -61.27 -8.28 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -113.99 -18.09 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.0 m -89.21 -33.97 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -76.65 48.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 32.9 m -98.86 173.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.08 167.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.5 m -105.74 -3.09 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.38 -35.58 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.5 p -119.45 -10.56 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 37.4 mmt-85 60.32 46.46 10.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.0 mtmt -95.56 132.25 40.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.7 mm? -31.83 -59.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -40.4 -64.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.97 138.87 14.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.4 t -42.37 143.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -97.2 -24.22 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.5 tp60 -61.36 -67.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -91.57 -11.97 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.09 49.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.5 mptt -126.07 161.01 54.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.682 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 150.23 67.42 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.6 mt -120.69 108.59 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -94.62 -51.84 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -134.21 154.25 51.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.95 79.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' C ' HG11 ' A' ' 20' ' ' VAL . . . -141.31 165.8 26.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.419 HG11 ' C ' ' A' ' 19' ' ' GLY . 3.2 m -139.7 -174.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.51 148.66 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.15 46.55 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 58.84 36.11 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.99 141.34 17.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.99 69.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 74.2 m95 -152.86 135.07 14.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.0 m170 -72.64 144.92 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -59.8 -9.7 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -112.28 -22.18 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.8 m -85.69 -32.5 21.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.91 48.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.425 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 30.2 m -100.96 178.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 t -63.07 167.23 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.9 m -104.76 -1.55 26.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.63 -38.6 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.53 -7.92 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.425 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.8 mmm180 57.26 47.5 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -96.63 131.88 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 56' ' ' LEU . 28.4 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.4 mm? -28.86 -47.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -54.93 -67.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.88 140.35 14.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.2 t -43.93 144.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -97.83 -24.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.2 tp60 -60.89 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.413 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 25.7 p -92.54 -13.23 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 73.53 49.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.63 161.35 51.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.37 66.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.479 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -119.46 108.82 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 p -94.73 -59.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m -127.79 147.18 50.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 80.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' C ' HG11 ' A' ' 20' ' ' VAL . . . -143.02 167.25 26.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG11 ' C ' ' A' ' 19' ' ' GLY . 2.9 m -141.14 -175.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.47 154.01 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -160.31 117.6 2.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.577 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.3 mpt_? 65.94 41.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 63.96 34.95 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -144.08 142.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.03 69.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.8 m95 -153.1 134.54 14.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -71.89 145.21 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -60.16 -9.43 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -112.36 -22.17 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 87.5 m -84.88 -33.66 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -76.15 48.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.414 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 33.0 m -98.77 174.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 12.7 t -59.69 167.88 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -106.59 -6.63 17.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.15 -33.89 6.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 30.6 p -121.51 -12.21 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 10.5 mmm180 60.96 46.5 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 24.0 mtmt -95.22 140.31 30.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' LEU . 10.6 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' ASN . 4.1 mm? -34.69 -64.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -34.2 -52.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.59 142.38 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.0 t -45.09 143.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -96.5 -24.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.2 tp60 -60.62 -67.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -91.57 -12.92 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 28.0 mmmt 73.18 47.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -123.94 161.68 45.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.891 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.54 68.69 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.504 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.3 mt -120.4 110.55 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.7 p -97.23 -61.25 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.4 m -127.87 142.2 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.67 83.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.04 174.99 24.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.61 -175.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.51 152.4 45.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.2 t80 -159.0 116.7 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.9 mpt_? 65.97 43.55 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 62.07 34.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -144.22 142.87 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.3 Cg_endo -69.71 154.2 68.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.7 m95 -155.48 137.7 14.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.504 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -73.9 146.77 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -61.76 -8.08 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -114.48 -18.07 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.1 m -89.83 -32.3 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -76.45 48.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 32.7 m -99.23 -177.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.7 t -63.49 168.51 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.0 m -104.55 -7.03 20.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.27 -39.24 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.36 -4.52 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 51.5 50.03 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -98.89 130.85 45.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 76.1 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.495 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.3 p . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.2 mp -30.12 -50.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -49.45 -66.86 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.17 139.85 13.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' LYS . 5.9 t -44.99 145.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.0 m -97.39 -26.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -58.63 -65.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.1 p -93.0 -14.14 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.9 mmmt 74.46 47.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.86 161.57 45.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.21 68.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.514 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.9 mt -120.64 115.56 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.7 p -100.65 -57.66 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -129.44 151.38 50.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.19 82.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -141.08 171.03 24.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.441 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' C ' ' A' ' 19' ' ' GLY . 3.1 m -145.63 -174.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 152.26 43.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.6 t80 -158.38 116.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.574 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER 66.4 42.91 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.67 35.24 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -144.85 143.58 21.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.76 154.74 67.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.3 m95 -156.17 136.95 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.514 ' CD2' HG12 ' A' ' 15' ' ' ILE . 14.4 m170 -73.49 146.53 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -62.05 -7.5 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -114.78 -17.27 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -89.91 -34.04 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -76.53 48.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -98.8 -177.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 35' ' ' THR . 6.1 m -105.14 -7.98 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.78 -37.68 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -116.34 -6.37 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 53.47 49.17 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -97.76 129.35 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LEU . 11.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.5 mm? -33.85 -59.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 t-20 -37.35 -54.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.95 139.68 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.0 t -43.82 143.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 m -97.3 -23.51 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.8 tp60 -61.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.36 -12.39 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 72.83 49.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.17 160.67 56.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.515 0.674 . . . . 0.0 110.869 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.16 67.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 28' ' ' HIS . 10.9 mt -120.64 112.75 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 p -99.24 -56.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 18' ' ' GLY . 25.0 m -129.7 148.78 51.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 17' ' ' THR . . . 61.61 82.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.421 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -143.64 171.05 25.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 HG13 ' C ' ' A' ' 19' ' ' GLY . 3.2 m -144.94 -175.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.16 154.47 44.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -161.47 118.6 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 mpt_? 65.47 42.43 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.57 35.21 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -144.58 142.49 19.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.482 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.79 154.83 67.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.1 m95 -155.58 135.42 12.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.1 m170 -72.2 148.27 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -63.96 -5.38 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -119.12 -10.93 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 70.6 m -96.4 -29.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -80.03 46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.422 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 27.6 m -95.3 173.13 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.5 t -60.5 166.14 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 m -105.02 -1.98 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.41 -36.61 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 25.7 p -118.94 -13.03 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.5 mmt180 63.46 42.93 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 36.9 mtmt -92.2 136.41 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.6 mm? -34.13 -51.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -45.72 -55.92 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.8 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.24 140.92 16.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.7 t -44.21 143.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.6 m -96.25 -24.75 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 3.9 tp-100 -60.55 -68.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.9 p -90.57 -13.7 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.6 mmmt 74.21 46.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -122.92 161.68 43.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.61 67.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.488 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.0 mt -118.73 114.84 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 p -100.94 -65.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 18' ' ' GLY . 74.6 m -122.83 142.75 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 17' ' ' THR . . . 67.84 83.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.76 170.77 25.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.71 -179.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.14 154.74 50.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 9.4 t80 -161.1 115.75 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.529 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 65.21 45.36 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 60.51 35.01 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -144.31 140.83 17.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.26 69.3 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 73.3 m95 -152.51 135.23 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.488 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.7 m170 -72.12 145.91 47.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -60.79 -8.78 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -113.6 -19.69 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 97.1 m -88.73 -31.5 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -76.51 48.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 35.4 m -97.09 176.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 t -59.87 165.43 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 35' ' ' THR . 90.7 m -104.9 -1.29 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.27 -35.67 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.475 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.6 p -119.1 -11.55 9.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.3 mmm180 61.36 46.56 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 27.0 mtmt -95.61 133.21 39.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.451 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 67.8 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 9.2 mp -33.36 -50.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.88 -50.59 26.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' CYS . 14.9 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.67 141.82 16.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -45.21 144.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -97.7 -25.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.69 -66.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -93.01 -11.48 33.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 29.0 mmmt 71.25 50.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.1 mptt -126.57 161.46 52.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 150.6 68.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.0 mt -121.17 112.24 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -96.4 -58.37 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 18' ' ' GLY . 56.6 m -130.93 147.22 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 17' ' ' THR . . . 65.66 80.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -141.92 167.97 25.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG12 ' C ' ' A' ' 19' ' ' GLY . 3.6 m -140.42 -175.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.164 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 143.87 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.6 t80 -150.2 115.92 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.8 46.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 59.23 34.97 23.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.22 142.94 20.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.72 153.51 69.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 59.8 m95 -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.525 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.1 m170 -74.66 144.36 43.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.48 -10.04 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.4 -21.65 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.6 m -85.6 -33.97 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -76.81 47.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 27.4 m -98.73 174.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.86 165.6 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 m -103.93 -1.18 28.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.17 -37.74 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.8 p -116.85 -11.63 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 26.0 mmt-85 61.21 46.9 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.2 mtmt -96.71 132.06 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.9 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' CYS . 94.7 mt -30.86 -56.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -41.9 -60.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.24 140.33 16.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.9 t -44.07 144.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 m -97.68 -24.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.1 tp60 -60.73 -67.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.72 -12.32 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 21.7 mmmt 72.5 50.14 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.26 160.54 57.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.685 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.44 68.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 28' ' ' HIS . 11.7 mt -121.4 106.64 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 p -97.13 -36.75 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -149.89 147.8 28.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.55 75.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -142.44 174.03 23.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG13 ' C ' ' A' ' 19' ' ' GLY . 4.1 m -147.48 -175.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.87 145.96 38.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -155.17 116.58 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.557 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.35 46.17 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.11 35.01 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -145.36 141.47 17.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 156.85 62.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.2 m95 -157.24 136.29 11.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.8 m170 -73.32 144.43 46.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -60.04 -8.81 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -113.84 -16.98 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.4 m -90.45 -33.44 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.79 49.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 35.9 m -98.36 -178.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.33 168.61 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.8 m -105.12 -5.11 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.32 -35.68 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -120.98 3.71 10.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.0 mmt85 43.47 49.71 6.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -98.09 126.83 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 58.5 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 14.5 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 36.4 mt -32.66 -62.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -39.3 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.98 141.25 16.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.9 t -44.69 144.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.0 m -97.06 -25.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.16 -67.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.91 -11.73 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 71.49 49.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.7 mptt -126.22 161.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.72 68.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.252 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.7 mt -120.79 115.1 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -102.47 -57.17 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -128.44 144.16 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.12 84.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -144.07 169.19 26.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG12 ' C ' ' A' ' 19' ' ' GLY . 3.4 m -143.61 -176.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.384 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 148.83 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.5 t80 -155.15 114.75 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.5 47.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 58.97 35.69 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -145.1 142.33 18.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.77 154.64 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.9 m95 -156.02 137.93 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.3 m170 -74.3 148.4 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -64.25 -5.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -119.38 -9.46 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 68.3 m -97.6 -32.99 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.53 46.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 22.3 m -94.48 178.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -63.19 167.1 5.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.5 m -104.04 -2.93 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.85 -39.94 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.36 -6.86 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 17.1 mmt180 55.09 48.17 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -95.57 139.22 32.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.3 mp -31.3 -52.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -45.98 -66.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.915 0.388 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.92 140.95 16.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.9 t -44.31 144.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -97.65 -24.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.3 tp-100 -60.79 -66.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 p -91.57 -14.44 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.4 mmmt 74.64 48.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.08 161.18 50.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.554 0.692 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.14 69.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.44 113.64 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.3 p -100.49 -56.18 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m -129.65 147.43 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 29' ' ' LYS . . . 62.39 82.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' C ' HG11 ' A' ' 20' ' ' VAL . . . -142.68 170.09 25.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 ' C ' ' A' ' 19' ' ' GLY . 3.2 m -144.09 -175.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.31 144.46 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -150.91 116.84 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER 66.83 47.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 57.65 36.32 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -145.79 143.3 19.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.517 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.77 153.83 68.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.4 m95 -155.71 137.65 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.505 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.4 m170 -73.87 148.94 41.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' NZ ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 ttmt -64.2 -5.67 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -118.03 -14.45 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.5 m -91.86 -34.31 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.86 49.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 33.2 m -100.67 175.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -61.91 165.88 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.4 m -105.8 -1.22 24.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.9 -33.41 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.9 -14.99 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.2 mmm180 66.39 45.64 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -92.2 129.24 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.444 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 79.0 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 21.9 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 98.1 mt -33.49 -47.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -50.96 -51.32 53.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' CYS . 33.6 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -120.81 42.45 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -104.32 81.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.14 108.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -107.56 156.36 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -79.3 109.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.72 139.71 12.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.6 t -43.56 144.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -96.71 -25.38 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.0 tp-100 -60.17 -68.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -90.52 -13.4 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.8 mmmt 73.28 48.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -124.84 161.84 46.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 148.27 64.47 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.2 mt -117.35 109.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -94.87 -57.67 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -129.24 154.22 47.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.43 81.84 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.438 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -142.32 168.06 25.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG13 ' C ' ' A' ' 19' ' ' GLY . 2.9 m -143.08 -175.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.175 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.39 153.73 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -158.93 114.53 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.575 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER 65.79 46.65 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.63 35.63 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -144.4 141.26 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.02 67.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 75.7 m95 -151.01 133.88 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -71.19 147.13 48.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.0 -6.28 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -116.77 -16.91 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.2 m -90.71 -33.09 15.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 3.5 t80 -76.07 48.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 34.0 m -97.79 -178.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.04 167.56 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.567 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 58.6 m -104.72 -4.0 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.21 -37.62 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.5 p -117.11 -3.62 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 51.26 49.64 20.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -95.6 131.57 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 57.9 mt-30 -55.93 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 mt -67.56 -29.22 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.0 m -50.1 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.95 -53.39 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -81.95 179.21 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -77.34 143.62 38.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -165.58 151.82 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.9 131.07 14.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.56 149.63 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -94.28 -53.62 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -133.68 -56.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.74 -41.66 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.71 164.54 15.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.08 130.3 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 94.4 m-85 -126.99 114.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.6 p -54.6 140.68 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.3 mm? -31.7 -55.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -42.82 -66.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.99 -46.7 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -48.09 -43.45 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.4 m -93.08 27.51 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -132.54 -48.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.41 -58.76 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -83.69 -55.77 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.54 152.96 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -164.12 156.52 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.64 -171.6 39.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -167.19 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -70.59 -67.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -94.05 64.85 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -159.51 116.49 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -50.18 122.63 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 171.08 17.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -165.1 146.6 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -58.19 97.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.69 140.96 16.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 t -43.52 144.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -98.28 -24.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.2 tp-100 -61.01 -66.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.5 p -93.04 -11.43 33.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.7 mmmt 71.25 49.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 mptt -126.24 161.03 54.48 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.53 65.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.276 . . . . 0.0 112.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.2 mt -118.11 110.35 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.5 p -94.55 -58.92 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -131.42 148.51 52.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.38 80.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -142.29 173.15 23.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG12 ' C ' ' A' ' 19' ' ' GLY . 3.4 m -145.73 -175.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.58 156.23 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.556 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.9 t80 -163.06 117.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.556 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 6.0 mpt_? 65.62 41.55 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.1 34.55 11.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.74 143.44 21.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.699 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 26' ' ' PRO . 59.2 m95 -157.2 137.82 13.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.48 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -73.53 145.61 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -61.83 -7.51 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.53 -17.31 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 75.5 m -90.18 -34.62 15.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -75.97 49.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -99.97 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 t -60.1 168.1 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.554 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 27.3 m -105.64 -6.69 19.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.75 -37.32 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.56 -7.72 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 55.38 49.52 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -100.42 130.13 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 72.7 mt-30 -43.75 122.51 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.8 mt -109.28 26.71 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -88.75 -55.56 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.19 -44.41 8.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 8.7 pt20 -78.04 168.61 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -74.32 151.86 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -146.88 161.59 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -160.03 123.48 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.56 140.02 34.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -54.5 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.19 -56.46 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -133.88 -43.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -86.55 171.88 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.16 133.33 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 86.2 m-85 -132.63 127.37 34.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p -65.11 143.34 57.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 5.7 mp -33.52 -51.16 0.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -47.12 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.2 m -54.25 -45.26 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -47.47 -45.57 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.75 27.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -132.68 -46.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.57 -51.74 26.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -89.91 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.17 175.98 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.9 m -125.91 44.0 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.58 75.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 p -39.12 -53.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.8 p -63.48 151.6 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.523 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -117.16 140.27 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t -148.68 146.54 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.96 99.01 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -75.61 151.51 37.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -61.37 106.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.27 138.6 13.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.6 t -42.9 143.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.5 m -97.07 -24.14 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.599 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -61.14 -67.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.05 -11.73 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 72.04 49.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 3.7 mptt -126.15 160.15 58.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.42 65.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.8 mt -117.64 104.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 p -93.28 -37.68 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 18' ' ' GLY . 97.9 m -146.97 163.17 37.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.475 ' N ' ' CG2' ' A' ' 17' ' ' THR . . . 47.34 79.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 173.23 23.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.98 -175.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.35 147.9 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.4 t80 -155.99 117.38 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.07 45.37 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 59.55 35.51 22.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -145.28 141.6 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 153.35 68.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.6 m95 -153.97 135.15 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -72.63 143.86 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -57.94 -11.19 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.42 -24.21 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 99.1 m -83.78 -30.4 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -78.64 44.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 33.7 m -93.63 179.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.5 t -65.57 167.98 8.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.505 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 47.7 m -105.51 -4.7 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 -34.4 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -120.45 -7.75 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 mmt180 55.97 50.07 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -98.18 131.99 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -53.32 93.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 16.2 mt -70.34 -3.51 17.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -79.69 42.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.59 -31.94 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.471 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 14.5 pm0 -110.04 150.57 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -56.98 124.3 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -128.97 174.68 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.1 t -167.64 126.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 150.21 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -97.29 -55.2 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -123.01 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.71 -41.66 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -83.65 165.55 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.06 146.05 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 91.2 m-85 -144.44 118.83 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.5 p -61.52 141.43 57.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 41.1 mt -32.78 -55.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -44.3 -64.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.02 -46.27 85.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -47.64 -44.68 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.1 t -89.03 26.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -133.45 -49.21 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.34 -62.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -77.67 -41.5 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.67 179.68 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -139.63 147.16 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.48 -157.93 8.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.6 Cg_endo -69.76 2.07 3.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' PRO . 4.9 t -34.59 111.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.7 t -39.2 132.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.485 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -93.81 40.0 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -86.0 -50.96 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.02 -147.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -153.05 116.43 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -53.01 107.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.91 139.24 13.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -43.75 145.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.5 m -98.25 -25.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.608 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.71 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -94.26 -11.25 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.26 49.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.12 160.74 55.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.05 66.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.5 mt -118.8 109.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.1 p -95.32 -55.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -131.04 150.01 52.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.82 81.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.15 170.23 25.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.71 -175.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 149.5 40.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -155.9 117.23 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.566 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.17 43.91 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.23 35.28 18.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.67 142.56 19.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.81 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.608 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.5 m95 -153.35 134.82 14.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.49 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.3 m170 -72.48 144.64 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -58.43 -10.89 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -110.96 -23.13 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 94.7 m -84.63 -30.37 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.25 44.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.402 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 31.0 m -93.82 179.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.6 t -62.74 168.52 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 26.2 m -105.16 -6.62 19.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.01 -37.76 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.81 -4.32 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 29.3 mmt-85 51.62 49.25 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -98.99 137.57 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -53.8 101.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 46.8 mt -77.49 -15.35 59.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -57.61 -46.2 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.86 43.37 2.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 6.9 pt20 -175.05 -177.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -99.04 131.33 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -126.79 161.07 29.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 t -144.97 113.91 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.31 133.78 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.9 tpt85 -85.77 -54.23 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -126.48 -62.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -132.74 -42.6 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -87.23 169.97 11.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.15 157.41 16.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 99.0 m-85 -152.77 111.06 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.2 p -50.46 139.65 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.1 mt -31.91 -56.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -41.75 -61.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.4 m -62.7 -43.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.14 -41.33 35.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -96.34 27.1 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.68 -45.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.0 mt -70.45 -59.79 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.37 -49.72 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.31 91.97 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -118.44 46.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.12 -148.57 50.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.58 4.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -91.54 42.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 145.37 40.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.493 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -60.23 153.72 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p 42.98 41.85 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.66 40.22 2.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.1 t -78.54 -67.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.6 m -34.28 110.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.83 141.55 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.7 t -45.29 144.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.3 m -97.57 -25.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -60.03 -66.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.0 p -93.13 -11.47 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.6 mmmt 71.54 49.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.06 161.48 51.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.53 66.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.513 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.0 mt -118.76 111.64 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.35 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 m -130.69 151.56 51.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.4 78.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -140.55 168.43 25.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 19' ' ' GLY . 3.1 m -142.01 -175.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.11 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 155.4 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.1 t80 -162.48 117.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.8 mpt_? 65.74 42.62 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 62.43 35.15 15.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -144.8 142.33 18.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.551 0.691 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.425 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.3 Cg_endo -69.74 153.16 69.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.5 m95 -153.96 134.02 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.513 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -70.99 147.65 48.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -63.65 -5.57 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -118.45 -11.12 10.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.1 m -96.21 -31.93 12.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -77.6 46.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.8 m -96.97 -176.79 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 t -68.03 169.58 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 11.9 m -107.16 -8.53 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.3 -34.18 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.5 p -121.75 -1.8 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 48.46 49.64 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -94.88 137.54 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.479 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 65.0 mt-30 -63.19 93.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' GLY . 12.7 mt -70.25 -26.18 63.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -48.86 90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 138.65 -44.44 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 17.9 pm0 -100.71 150.55 22.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -50.13 137.05 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -132.61 173.88 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -160.6 141.83 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.83 152.94 33.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -100.89 -55.75 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -67.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -132.1 -36.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -87.44 159.87 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.47 140.99 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.518 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 98.5 m-85 -132.25 110.24 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 17.1 p -47.65 141.93 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.4 mm? -32.63 -57.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -41.85 -68.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.7 m -53.33 -47.27 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -48.84 -43.56 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.2 t -92.31 25.96 2.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.08 -57.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.45 -62.08 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.06 -49.77 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.22 86.62 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -115.08 44.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.13 -173.83 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 t -112.32 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -63.56 91.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -160.53 112.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -90.35 -51.16 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 101.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.29 140.52 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -93.72 98.68 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.66 140.89 16.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.6 t -44.16 143.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 m -97.04 -24.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.5 tp60 -61.17 -67.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -91.39 -12.05 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.19 49.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.21 160.96 54.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.37 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.1 mt -122.06 114.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -102.78 -55.9 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 18' ' ' GLY . 21.1 m -128.52 145.54 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.459 ' N ' HG22 ' A' ' 17' ' ' THR . . . 63.74 79.25 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -139.1 167.3 25.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG12 ' C ' ' A' ' 19' ' ' GLY . 3.1 m -143.39 -175.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.087 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.76 157.43 45.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.6 t80 -163.39 115.33 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.4 mpt_? 65.7 44.11 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.11 34.91 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -144.51 142.67 19.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.68 154.28 68.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 65.9 m95 -155.1 137.68 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.6 m170 -74.0 148.36 42.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.52 -6.55 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.87 -16.48 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 95.9 m -91.25 -32.54 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.23 47.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 m -98.31 -179.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.31 167.32 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.554 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 10.5 m -104.32 -5.8 21.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -114.18 -41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -112.68 -8.28 13.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 55.95 48.37 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -100.36 131.38 46.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.8 123.71 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.6 mt -110.41 29.86 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 m -83.97 -23.35 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.87 -46.08 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -80.39 -175.97 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 2.9 mmm180 -94.59 140.76 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 47' ' ' THR . 12.3 p90 -114.53 -29.41 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 46' ' ' PHE . 14.7 t 31.04 47.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.05 140.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' HG2' ' CZ ' ' A' ' 63' ' ' TYR . 2.1 tpm_? -70.05 -60.34 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.59 -64.92 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -124.49 -36.24 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.521 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.1 m-85 -89.82 130.45 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.16 126.19 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 97.3 m-85 -124.39 110.04 14.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.4 p -42.78 143.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' CYS . 90.0 mt -32.47 -52.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.38 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 57.0 m -47.45 -42.46 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.03 -39.07 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -95.47 28.51 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.79 -46.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 mt -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 m-85 -84.04 -57.62 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.04 146.77 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -85.46 158.96 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.38 151.1 18.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.35 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.6 t -83.76 -56.64 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 p -92.02 83.8 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.201 -0.777 . . . . 0.0 112.474 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -69.28 135.83 51.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m 53.75 44.73 29.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.61 -96.84 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.07 122.3 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -60.59 97.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.62 140.22 15.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LYS . 10.2 t -43.6 142.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 m -97.04 -23.56 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.3 tp60 -61.69 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -92.02 -13.73 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 20.7 mmmt 74.18 49.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.0 mptt -126.02 160.9 54.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.4 mt -121.39 110.76 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -97.31 -63.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -123.35 136.14 54.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.71 82.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -144.71 163.21 27.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 HG13 ' C ' ' A' ' 19' ' ' GLY . 4.0 m -137.83 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.7 t80 -162.46 115.04 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.04 43.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 62.18 34.98 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -144.85 142.21 18.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.71 154.81 67.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.4 m95 -155.41 136.46 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -73.06 145.5 46.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -60.18 -9.2 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -113.03 -21.29 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.4 m -86.72 -31.81 20.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -76.88 48.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 35.5 m -97.52 -179.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.36 168.42 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 25.0 m -104.99 -5.66 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.39 -33.33 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.058 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.7 p -122.57 3.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.426 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 51.0 mmt-85 43.7 50.94 6.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -97.96 129.39 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 55.0 mt-30 -49.5 110.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 mt -93.06 30.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 p -91.4 39.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.6 48.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -161.07 161.11 31.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -76.36 47.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -48.64 128.44 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 t -120.62 130.31 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.8 138.64 32.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -83.32 -59.66 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.6 -64.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.43 -37.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -86.55 158.23 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.42 135.9 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 91.7 m-85 -132.73 116.95 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p -52.71 145.44 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.6 mp -33.19 -51.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.24 -70.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.8 m -52.4 -46.61 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.77 -43.66 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.8 m -95.77 28.21 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.34 -46.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.25 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -86.61 -57.61 2.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . . . -62.53 168.12 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -131.94 174.1 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.71 70.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 114.83 3.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.0 t -68.26 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.8 t -174.35 135.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.483 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -111.98 -60.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -149.84 136.46 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.34 62.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.9 m -122.21 157.95 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -58.91 101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.68 141.25 15.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.8 t -45.24 143.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 m -96.18 -24.75 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.81 -66.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.8 p -92.65 -13.98 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.7 mmmt 74.69 46.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.85 161.6 45.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.6 69.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.487 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -121.06 113.88 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 p -99.51 -61.06 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 18' ' ' GLY . 24.2 m -127.51 145.81 50.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 17' ' ' THR . . . 65.63 82.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.88 174.18 23.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.6 -175.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.943 0.401 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 146.53 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -153.07 116.99 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 66.32 46.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.59 35.92 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -145.24 142.88 18.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.479 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.7 m95 -154.73 137.76 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.487 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.5 m170 -73.87 148.66 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -63.97 -6.11 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -117.16 -15.63 10.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.7 m -91.12 -34.41 15.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -75.88 50.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 30.3 m -102.46 176.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.2 t -61.79 166.17 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.8 m -104.56 -2.14 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.22 -38.61 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.0 p -115.85 -12.43 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 23.7 mmm180 63.06 42.78 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 33.9 mtmt -90.65 131.42 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 77.2 mt-30 -51.51 111.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.48 31.09 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -93.96 47.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.59 -54.88 0.26 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -58.22 148.27 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -62.9 92.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -99.28 151.67 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 t -147.14 120.09 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.05 142.55 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 63' ' ' TYR . 40.1 ttt85 -85.34 -51.4 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -133.27 -70.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.5 -44.0 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.33 160.76 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.75 130.63 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.75 122.04 35.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 24.3 p -55.66 143.86 28.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 16.8 mt -33.62 -57.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -44.58 -65.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.0 m -53.55 -47.44 70.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -48.52 -46.87 39.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.9 t -90.64 25.9 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.0 -56.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.82 -61.03 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.407 ' CZ ' ' HD3' ' A' ' 49' ' ' ARG . 12.9 m-85 -84.46 -56.2 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' CB ' ' HA ' ' A' ' 60' ' ' CYS . . . -62.62 93.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.1 p -141.93 169.14 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.25 92.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.99 35.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.1 p -109.3 40.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.9 p -51.31 145.84 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -44.09 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -47.57 110.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.81 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -90.61 142.14 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -58.25 109.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.6 140.57 13.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -44.1 144.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.6 m -97.17 -25.66 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.47 -66.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.38 -11.68 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.42 50.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.6 mptt -126.28 161.42 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.51 68.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.521 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.4 mt -121.91 113.87 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -99.3 -59.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -128.63 143.51 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -140.05 163.52 26.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 HG12 ' C ' ' A' ' 19' ' ' GLY . 4.3 m -137.1 -175.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.02 146.42 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -153.28 116.45 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 66.24 46.49 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 58.82 35.61 24.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -144.91 142.27 18.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.1 Cg_endo -69.78 153.1 69.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.8 m95 -154.31 138.17 16.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.521 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.9 m170 -74.85 145.96 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.05 -8.05 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.14 -20.06 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 96.3 m -88.04 -32.86 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -75.78 49.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 33.4 m -100.35 175.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.92 168.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.482 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 55.0 m -106.68 -2.6 21.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.22 -34.6 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 p -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.42 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.6 mmm180 57.12 49.91 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -98.32 129.78 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -48.11 113.44 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.13 33.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 p -88.75 -42.25 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.9 57.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -165.64 162.71 19.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -88.13 49.4 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -39.21 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -144.22 122.67 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.76 155.38 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 63' ' ' TYR . 59.0 ttt85 -99.88 -49.88 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.41 -60.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -134.11 -44.61 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -78.15 155.39 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.89 124.53 49.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 86.1 m-85 -122.6 112.05 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.1 p -46.6 166.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.66 -58.67 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -44.21 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.3 m -47.46 -48.4 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -49.52 -44.31 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.78 28.37 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -132.29 -45.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.15 -51.95 40.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 49' ' ' ARG . 39.9 m-85 -89.95 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.37 137.18 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -112.88 126.1 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 166.26 150.22 6.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 90.55 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.6 p -96.87 110.72 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 t -136.36 162.72 32.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.446 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -54.02 154.76 3.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -104.33 125.33 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.14 67.59 0.13 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -85.01 42.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -64.94 90.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.14 141.09 15.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.0 t -44.14 143.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.5 m -96.93 -24.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -60.26 -66.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.1 p -92.34 -12.03 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.2 mmmt 72.12 49.99 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.38 161.52 51.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.34 68.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.509 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.6 113.95 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -98.98 -59.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 m -128.35 144.31 51.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.39 81.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -142.14 167.9 25.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.441 HG13 ' C ' ' A' ' 19' ' ' GLY . 3.5 m -141.05 -175.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.7 149.77 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.9 t80 -156.7 116.62 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.552 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.5 mpt_? 65.97 45.38 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 60.17 35.61 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -144.76 141.98 18.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.543 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.76 155.33 66.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 64.0 m95 -156.42 138.11 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.509 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -74.65 145.98 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -61.27 -8.28 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -113.99 -18.09 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.0 m -89.21 -33.97 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -76.65 48.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.428 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 32.9 m -98.86 173.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.08 167.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.556 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 45.5 m -105.74 -3.09 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.38 -35.58 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.5 p -119.45 -10.56 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 37.4 mmt-85 60.32 46.46 10.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.0 mtmt -95.56 132.25 40.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -51.46 114.08 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.0 mt -98.72 35.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -94.36 -60.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.9 37.9 3.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -159.59 166.2 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -79.13 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -152.64 177.84 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -164.58 134.81 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.17 153.5 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -97.82 -44.56 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -133.3 -61.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.32 -39.18 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -90.23 157.69 17.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.33 158.91 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.556 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 96.6 m-85 -148.39 109.06 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p -45.35 139.34 3.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.7 mm? -31.83 -59.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -40.4 -64.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 33.5 m -58.22 -49.27 77.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -47.16 -44.29 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.6 t -88.63 26.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.21 -57.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 mt -53.16 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -83.83 -59.25 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.19 156.23 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.6 p -122.57 114.18 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.12 -173.84 23.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.67 2.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 m 61.81 41.84 11.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -71.3 86.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -127.51 121.68 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -107.24 104.05 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.24 82.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -47.42 125.32 8.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -59.68 100.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.97 138.87 14.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.4 t -42.37 143.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.8 m -97.2 -24.22 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.5 tp60 -61.36 -67.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -91.57 -11.97 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.09 49.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.5 mptt -126.07 161.01 54.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.682 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 150.23 67.42 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.6 mt -120.69 108.59 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -94.62 -51.84 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -134.21 154.25 51.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.95 79.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' C ' HG11 ' A' ' 20' ' ' VAL . . . -141.31 165.8 26.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.419 HG11 ' C ' ' A' ' 19' ' ' GLY . 3.2 m -139.7 -174.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.51 148.66 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.15 46.55 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 58.84 36.11 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.99 141.34 17.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.99 69.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 74.2 m95 -152.86 135.07 14.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.0 m170 -72.64 144.92 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -59.8 -9.7 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -112.28 -22.18 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.8 m -85.69 -32.5 21.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.91 48.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 30.2 m -100.96 178.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 t -63.07 167.23 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 56.9 m -104.76 -1.55 26.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.63 -38.6 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.53 -7.92 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.8 mmm180 57.26 47.5 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -96.63 131.88 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -50.2 120.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.45 30.23 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 m -90.77 -61.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.05 48.2 2.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -174.77 158.49 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -64.06 152.94 38.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.51 -177.95 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 30.2 p -148.55 172.94 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.23 119.11 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 63' ' ' TYR . 15.3 ttp180 -69.74 -60.59 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -127.03 -61.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -130.33 -40.12 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -66.06 157.31 31.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.4 116.31 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 73.2 m-85 -115.72 155.28 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 56' ' ' LEU . 28.4 p -92.67 141.75 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.4 mm? -28.86 -47.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -54.93 -67.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.1 m -56.13 -44.52 79.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.74 -35.06 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.9 t -101.94 21.09 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -129.93 -27.76 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.38 -54.18 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 49' ' ' ARG . 28.3 m-85 -100.81 -44.34 5.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.17 59.73 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLY . 21.5 t -174.19 136.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -33.42 96.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' SER . 53.7 Cg_endo -69.78 143.49 50.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -77.89 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 93.8 p -156.12 175.34 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.22 -0.766 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -78.75 -51.72 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -107.21 108.55 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.02 -42.06 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -39.85 154.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -91.35 107.65 19.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.88 140.35 14.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.2 t -43.93 144.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -97.83 -24.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.2 tp60 -60.89 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.413 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 25.7 p -92.54 -13.23 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 73.53 49.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.63 161.35 51.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.37 66.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -119.46 108.82 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 p -94.73 -59.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m -127.79 147.18 50.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 80.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' C ' HG11 ' A' ' 20' ' ' VAL . . . -143.02 167.25 26.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG11 ' C ' ' A' ' 19' ' ' GLY . 2.9 m -141.14 -175.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.47 154.01 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -160.31 117.6 2.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.3 mpt_? 65.94 41.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 63.96 34.95 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -144.08 142.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.03 69.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.8 m95 -153.1 134.54 14.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -71.89 145.21 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -60.16 -9.43 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -112.36 -22.17 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 87.5 m -84.88 -33.66 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -76.15 48.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.414 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 33.0 m -98.77 174.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 12.7 t -59.69 167.88 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 8.3 m -106.59 -6.63 17.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.15 -33.89 6.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 30.6 p -121.51 -12.21 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 10.5 mmm180 60.96 46.5 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 24.0 mtmt -95.22 140.31 30.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -62.27 97.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 10.3 mt -74.37 -16.9 60.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -56.46 -29.42 61.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.88 33.82 5.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 18.0 pt20 -170.36 179.27 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 9.8 mtp-105 -83.36 157.14 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -166.83 179.39 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -168.1 134.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.45 134.06 33.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -84.22 -46.09 12.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -132.4 -64.06 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.58 -37.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.09 161.84 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.75 34.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 78.4 m-85 -129.86 113.07 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' LEU . 10.6 p -58.27 139.65 54.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' ASN . 4.1 mm? -34.69 -64.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -34.2 -52.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 61' ' ' ASP . 15.2 m -72.51 -57.0 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -43.71 -27.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 97.3 m -75.74 -39.51 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 6.0 t0 -85.1 -54.5 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.522 HD12 ' CD1' ' A' ' 54' ' ' TYR . 68.0 mt -32.77 -70.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -99.13 -69.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.21 170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 p -135.81 138.07 42.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.27 -158.48 14.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 86.4 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -69.75 83.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -132.53 105.53 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.447 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -48.51 -60.47 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -45.81 -62.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.71 108.34 1.95 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -94.12 146.61 23.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -56.83 106.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.59 142.38 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.0 t -45.09 143.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -96.5 -24.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.2 tp60 -60.62 -67.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -91.57 -12.92 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 28.0 mmmt 73.18 47.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -123.94 161.68 45.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.891 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.54 68.69 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.504 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.3 mt -120.4 110.55 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.7 p -97.23 -61.25 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.4 m -127.87 142.2 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.67 83.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.04 174.99 24.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.61 -175.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.51 152.4 45.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.2 t80 -159.0 116.7 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.9 mpt_? 65.97 43.55 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 62.07 34.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -144.22 142.87 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.3 Cg_endo -69.71 154.2 68.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.7 m95 -155.48 137.7 14.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.504 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -73.9 146.77 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -61.76 -8.08 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -114.48 -18.07 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.1 m -89.83 -32.3 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -76.45 48.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 32.7 m -99.23 -177.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.7 t -63.49 168.51 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.554 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 40.0 m -104.55 -7.03 20.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.27 -39.24 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.36 -4.52 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 51.5 50.03 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -98.89 130.85 45.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 76.1 mt-30 -49.73 115.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 mt -99.24 28.51 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 p -80.89 -60.45 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.32 52.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 6.0 pt20 -162.5 167.37 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -76.76 130.39 37.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -141.07 157.46 45.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.3 t -154.37 130.15 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.27 128.22 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -72.63 -50.84 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -134.1 -62.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.551 ' OD2' ' CE1' ' A' ' 52' ' ' PHE . 10.7 p-10 -133.63 -38.27 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CE1' ' OD2' ' A' ' 51' ' ' ASP . 5.6 m-85 -80.86 153.49 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.2 121.9 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 84.5 m-85 -122.37 144.39 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.495 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.3 p -86.64 141.41 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.2 mp -30.12 -50.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -49.45 -66.86 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 58.2 m -57.82 -47.01 83.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -47.41 -43.41 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.11 28.58 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -41.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.51 -54.43 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -89.69 -66.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 154.72 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -155.41 159.21 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.3 -120.16 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 144.22 53.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -76.74 136.56 39.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.6 t -48.16 137.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.45 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -93.11 85.93 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -122.28 143.33 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.32 99.01 1.04 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 54.0 p -64.85 141.89 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 74.9 m -34.68 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.17 139.85 13.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' LYS . 5.9 t -44.99 145.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.0 m -97.39 -26.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -58.63 -65.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.1 p -93.0 -14.14 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.9 mmmt 74.46 47.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.86 161.57 45.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.21 68.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.514 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.9 mt -120.64 115.56 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.7 p -100.65 -57.66 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -129.44 151.38 50.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.19 82.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -141.08 171.03 24.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.441 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' C ' ' A' ' 19' ' ' GLY . 3.1 m -145.63 -174.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 152.26 43.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.6 t80 -158.38 116.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER 66.4 42.91 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.67 35.24 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -144.85 143.58 21.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.76 154.74 67.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.3 m95 -156.17 136.95 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.514 ' CD2' HG12 ' A' ' 15' ' ' ILE . 14.4 m170 -73.49 146.53 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -62.05 -7.5 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -114.78 -17.27 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -89.91 -34.04 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -76.53 48.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.0 m -98.8 -177.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.5 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 6.1 m -105.14 -7.98 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.78 -37.68 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -116.34 -6.37 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 53.47 49.17 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -97.76 129.35 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -48.29 113.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 46' ' ' PHE . 11.4 mt -96.28 29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -77.1 -48.4 17.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.69 65.3 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -170.37 161.63 8.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -66.54 135.07 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 1.8 p90 -164.35 145.42 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 t -144.17 143.67 31.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.57 144.74 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.093 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -89.16 -54.59 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -124.32 -63.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -132.17 -41.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -84.56 151.58 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.63 136.12 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 95.4 m-85 -128.16 114.05 16.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LEU . 11.6 p -55.31 140.46 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.5 mm? -33.85 -59.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 t-20 -37.35 -54.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 56.1 m -71.09 -49.83 40.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -49.39 -26.79 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' ALA . 41.8 t -78.09 -39.99 39.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.3 t70 -82.35 -59.4 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' ASP . 92.5 mt -34.58 -72.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -94.2 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' CYS . . . -47.45 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -81.47 161.47 23.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.88 85.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -9.71 26.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.0 p -84.74 173.09 10.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.8 t -54.74 154.52 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -49.14 -59.45 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.879 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -174.08 156.54 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.68 -95.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -45.53 138.76 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -73.51 109.54 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.95 139.68 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.0 t -43.82 143.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 m -97.3 -23.51 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.8 tp60 -61.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.36 -12.39 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 72.83 49.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.17 160.67 56.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.515 0.674 . . . . 0.0 110.869 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.16 67.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 28' ' ' HIS . 10.9 mt -120.64 112.75 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 p -99.24 -56.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 18' ' ' GLY . 25.0 m -129.7 148.78 51.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' HG22 ' A' ' 17' ' ' THR . . . 61.61 82.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.421 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -143.64 171.05 25.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 HG13 ' C ' ' A' ' 19' ' ' GLY . 3.2 m -144.94 -175.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.16 154.47 44.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -161.47 118.6 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 mpt_? 65.47 42.43 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.57 35.21 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -144.58 142.49 19.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.482 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.79 154.83 67.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.1 m95 -155.58 135.42 12.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.464 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.1 m170 -72.2 148.27 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -63.96 -5.38 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -119.12 -10.93 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 70.6 m -96.4 -29.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -80.03 46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.422 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 27.6 m -95.3 173.13 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.5 t -60.5 166.14 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.498 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 23.4 m -105.02 -1.98 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.41 -36.61 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 25.7 p -118.94 -13.03 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.5 mmt180 63.46 42.93 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 36.9 mtmt -92.2 136.41 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -55.49 113.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -98.03 28.08 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.8 p -76.12 -59.76 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.0 66.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -172.33 167.11 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -72.18 133.06 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -154.71 150.52 27.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 t -150.69 134.8 16.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.16 140.7 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -85.28 -54.45 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -124.44 -64.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.34 -39.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.02 157.31 19.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.97 136.41 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 97.5 m-85 -132.2 124.63 29.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p -64.22 139.59 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.6 mm? -34.13 -51.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -45.72 -55.92 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.8 m -67.68 -43.99 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -50.18 -39.51 44.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.18 24.48 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -131.54 -51.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.13 -59.69 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -80.92 -55.39 4.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 108.19 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -104.58 145.75 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.35 114.62 6.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -85.67 45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -127.74 164.32 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.453 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -83.0 117.01 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -79.93 -47.21 15.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 138.46 14.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -103.74 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -62.77 98.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.24 140.92 16.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.7 t -44.21 143.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.6 m -96.25 -24.75 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 3.9 tp-100 -60.55 -68.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.9 p -90.57 -13.7 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.6 mmmt 74.21 46.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -122.92 161.68 43.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.61 67.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.488 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.0 mt -118.73 114.84 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 p -100.94 -65.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 18' ' ' GLY . 74.6 m -122.83 142.75 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 17' ' ' THR . . . 67.84 83.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.76 170.77 25.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.71 -179.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.14 154.74 50.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 9.4 t80 -161.1 115.75 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.529 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 65.21 45.36 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 60.51 35.01 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -144.31 140.83 17.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.26 69.3 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 73.3 m95 -152.51 135.23 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.488 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.7 m170 -72.12 145.91 47.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -60.79 -8.78 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -113.6 -19.69 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 97.1 m -88.73 -31.5 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -76.51 48.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 35.4 m -97.09 176.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 t -59.87 165.43 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 35' ' ' THR . 90.7 m -104.9 -1.29 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.27 -35.67 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.475 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.6 p -119.1 -11.55 9.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.3 mmm180 61.36 46.56 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 27.0 mtmt -95.61 133.21 39.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.451 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 67.8 mt-30 -55.9 97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 17.7 mt -74.11 -10.91 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 p -57.53 -55.67 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 45.13 3.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 7.8 pt20 -175.29 -176.88 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -98.09 151.42 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -155.57 -175.33 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -170.26 133.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.5 139.09 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -85.97 -55.19 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -128.78 -61.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -131.52 -38.12 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -92.17 162.49 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.05 146.97 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -146.12 123.03 11.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.6 p -65.37 137.08 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 9.2 mp -33.36 -50.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.88 -50.59 26.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' CYS . 14.9 m -71.83 -44.94 63.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -48.14 -43.17 31.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.2 m -91.63 27.05 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -132.86 -48.74 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.63 -57.72 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -88.58 -57.06 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.33 113.45 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -116.58 43.91 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.06 -144.12 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 179.06 3.99 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 p -85.03 -44.18 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 t -85.23 90.62 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -172.97 150.4 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.836 0.351 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -93.58 -48.68 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.67 44.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -127.2 114.05 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -97.25 92.48 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.67 141.82 16.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -45.21 144.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.9 m -97.7 -25.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.69 -66.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -93.01 -11.48 33.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 29.0 mmmt 71.25 50.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.1 mptt -126.57 161.46 52.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 150.6 68.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.0 mt -121.17 112.24 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -96.4 -58.37 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 18' ' ' GLY . 56.6 m -130.93 147.22 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 17' ' ' THR . . . 65.66 80.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -141.92 167.97 25.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG12 ' C ' ' A' ' 19' ' ' GLY . 3.6 m -140.42 -175.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.164 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 143.87 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.6 t80 -150.2 115.92 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.8 46.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 59.23 34.97 23.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.22 142.94 20.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.72 153.51 69.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 59.8 m95 -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.525 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.1 m170 -74.66 144.36 43.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.48 -10.04 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.4 -21.65 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.6 m -85.6 -33.97 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -76.81 47.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 27.4 m -98.73 174.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.86 165.6 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 80.4 m -103.93 -1.18 28.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.17 -37.74 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.8 p -116.85 -11.63 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 26.0 mmt-85 61.21 46.9 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.2 mtmt -96.71 132.06 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -52.38 113.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -94.5 33.21 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -92.01 85.92 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -84.24 179.47 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -95.56 120.34 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' THR . 17.1 p90 -102.1 -26.71 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' PHE . 9.9 t 32.84 54.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.28 132.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -64.07 -53.57 47.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -134.35 -62.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -132.66 -34.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.554 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 22.0 m-85 -85.52 134.81 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.38 111.9 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 52' ' ' PHE . 87.4 m-85 -111.27 118.67 36.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.9 p -61.71 137.39 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' CYS . 94.7 mt -30.86 -56.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -41.9 -60.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.55 -43.63 93.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -49.36 -39.8 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.82 26.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -131.82 -47.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.73 -54.83 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -87.0 -58.94 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.63 125.88 29.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.6 t -151.47 147.71 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.42 73.37 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.43 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 0.24 5.97 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 p -86.34 90.19 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 p -128.4 135.3 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -129.57 135.63 48.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -124.67 119.35 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.32 79.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -151.7 174.75 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -130.17 93.96 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.24 140.33 16.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.9 t -44.07 144.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.2 m -97.68 -24.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.1 tp60 -60.73 -67.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.72 -12.32 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 21.7 mmmt 72.5 50.14 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.26 160.54 57.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.685 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.44 68.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 28' ' ' HIS . 11.7 mt -121.4 106.64 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 p -97.13 -36.75 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -149.89 147.8 28.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.55 75.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 20' ' ' VAL . . . -142.44 174.03 23.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG13 ' C ' ' A' ' 19' ' ' GLY . 4.1 m -147.48 -175.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.87 145.96 38.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -155.17 116.58 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.557 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.35 46.17 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.11 35.01 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -145.36 141.47 17.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 156.85 62.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.2 m95 -157.24 136.29 11.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.8 m170 -73.32 144.43 46.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -60.04 -8.81 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -113.84 -16.98 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.4 m -90.45 -33.44 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.79 49.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 35.9 m -98.36 -178.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.33 168.61 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.517 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 32.8 m -105.12 -5.11 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.32 -35.68 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -120.98 3.71 10.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.0 mmt85 43.47 49.71 6.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -98.09 126.83 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HA ' ' CG1' ' A' ' 33' ' ' VAL . 58.5 mt-30 -43.96 118.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 23.6 mt -105.69 30.84 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 m -95.95 -53.98 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.5 36.38 3.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -166.57 171.83 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 156.47 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -160.96 127.84 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.3 t -127.08 129.88 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.86 140.23 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' A' ' 63' ' ' TYR . 3.6 tpm_? -86.33 -50.5 6.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -134.87 -67.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.46 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.61 164.97 14.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 142.22 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 98.7 m-85 -134.29 105.4 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 14.5 p -39.62 144.05 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 36.4 mt -32.66 -62.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -39.3 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.3 m -51.84 -51.14 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -45.97 -49.35 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.56 28.43 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.66 -53.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.18 -57.16 12.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 49' ' ' ARG . 36.3 m-85 -82.96 -52.72 6.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.09 148.7 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -93.62 42.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.68 -136.29 27.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 120.44 7.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.1 p -89.83 90.68 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 t -155.0 125.42 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.475 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -170.25 155.73 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -51.19 168.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.7 168.5 19.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -87.13 92.02 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -122.77 97.28 5.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.98 141.25 16.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.9 t -44.69 144.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.0 m -97.06 -25.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.16 -67.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.91 -11.73 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 71.49 49.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.7 mptt -126.22 161.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.72 68.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.252 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.7 mt -120.79 115.1 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -102.47 -57.17 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -128.44 144.16 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.12 84.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' C ' HG12 ' A' ' 20' ' ' VAL . . . -144.07 169.19 26.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG12 ' C ' ' A' ' 19' ' ' GLY . 3.4 m -143.61 -176.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.384 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 148.83 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.5 t80 -155.15 114.75 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.5 47.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 58.97 35.69 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -145.1 142.33 18.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.77 154.64 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.9 m95 -156.02 137.93 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.3 m170 -74.3 148.4 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -64.25 -5.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -119.38 -9.46 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 68.3 m -97.6 -32.99 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.53 46.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.428 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 22.3 m -94.48 178.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -63.19 167.1 5.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.567 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 73.5 m -104.04 -2.93 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.85 -39.94 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.36 -6.86 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 17.1 mmt180 55.09 48.17 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -95.57 139.22 32.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -59.54 109.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 mt -91.73 9.63 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.1 m -77.3 83.29 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.75 -48.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -82.08 158.15 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -74.26 141.68 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -141.44 168.93 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.5 t -149.7 114.19 5.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.94 147.1 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -92.63 -51.41 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -131.51 -63.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -129.92 -40.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.68 170.12 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.87 143.19 44.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.567 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 79.3 m-85 -134.81 119.64 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.2 p -54.56 141.14 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.3 mp -31.3 -52.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -45.98 -66.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.3 -48.57 81.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.02 -44.9 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.32 28.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -134.95 -45.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.28 -59.83 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.25 -63.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.26 141.04 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.3 m -156.78 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.5 -169.76 29.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.61 34.4 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.603 2.202 . . . . 0.0 112.339 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -101.83 90.29 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.7 m -88.8 42.14 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -76.9 -48.39 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -108.6 79.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.21 -142.22 3.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -128.99 144.62 51.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -125.01 94.01 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.92 140.95 16.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.9 t -44.31 144.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -97.65 -24.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.3 tp-100 -60.79 -66.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 p -91.57 -14.44 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.4 mmmt 74.64 48.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.08 161.18 50.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.554 0.692 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.14 69.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.44 113.64 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.3 p -100.49 -56.18 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m -129.65 147.43 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' ' NZ ' ' A' ' 29' ' ' LYS . . . 62.39 82.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' C ' HG11 ' A' ' 20' ' ' VAL . . . -142.68 170.09 25.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 ' C ' ' A' ' 19' ' ' GLY . 3.2 m -144.09 -175.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.31 144.46 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -150.91 116.84 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER 66.83 47.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 57.65 36.32 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -145.79 143.3 19.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.517 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.77 153.83 68.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.4 m95 -155.71 137.65 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.505 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.4 m170 -73.87 148.94 41.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' NZ ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 ttmt -64.2 -5.67 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -118.03 -14.45 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 67.5 m -91.86 -34.31 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.86 49.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 40' ' ' GLN . 33.2 m -100.67 175.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -61.91 165.88 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 38.4 m -105.8 -1.22 24.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.9 -33.41 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.9 -14.99 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.2 mmm180 66.39 45.64 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -92.2 129.24 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 79.0 mt-30 -55.07 99.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.69 36.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 p -89.87 -41.39 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.39 -38.86 6.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 17.0 pm0 -95.39 153.39 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -59.69 175.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -157.67 144.62 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -136.75 115.31 11.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.62 144.01 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.1 tmt_? -90.12 -59.63 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -119.32 -68.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -126.37 -41.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -87.72 160.34 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . -91.68 165.66 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CG ' ' O ' ' A' ' 53' ' ' ALA . 97.9 m-85 -160.02 130.51 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 21.9 p -67.56 137.92 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 98.1 mt -33.49 -47.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -50.96 -51.32 53.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' CYS . 33.6 m -73.46 -46.54 47.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -50.12 -36.56 30.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.3 t -97.22 26.53 4.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.98 -44.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.52 -69.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 49' ' ' ARG . 71.8 m-85 -73.56 -66.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.31 89.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -95.75 129.39 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.13 -156.65 3.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.64 4.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.1 m -131.36 113.31 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t -83.61 155.23 23.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.72 139.71 12.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.485 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.6 t -43.56 144.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.2 m -96.71 -25.38 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.0 tp-100 -60.17 -68.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -90.52 -13.4 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.8 mmmt 73.28 48.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -124.84 161.84 46.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 148.27 64.47 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.2 mt -117.35 109.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -94.87 -57.67 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -129.24 154.22 47.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.43 81.84 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 168.06 25.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.08 -175.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.39 153.73 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -158.93 114.53 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.589 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER 65.79 46.65 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.63 35.63 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -144.4 141.26 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.606 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.79 150.02 67.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 75.7 m95 -151.01 133.88 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.478 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -71.19 147.13 48.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.0 -6.28 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -116.77 -16.91 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.2 m -90.71 -33.09 15.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 3.5 t80 -76.07 48.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.897 HG12 ' HA ' ' A' ' 40' ' ' GLN . 34.0 m -97.79 -178.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 10.6 t -64.04 167.56 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 35' ' ' THR . 58.6 m -104.72 -4.0 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -118.21 -37.62 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.5 p -117.11 -3.62 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.405 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 33.8 mmm-85 51.26 49.64 20.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -95.6 131.57 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.897 ' HA ' HG12 ' A' ' 33' ' ' VAL . 57.9 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.6 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.3 mm? -31.7 -55.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -42.82 -66.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 61.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.924 0.393 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.69 140.96 16.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 t -43.52 144.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.2 m -98.28 -24.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.2 tp-100 -61.01 -66.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.5 p -93.04 -11.43 33.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.7 mmmt 71.25 49.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 mptt -126.24 161.03 54.48 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.53 65.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.276 . . . . 0.0 112.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.2 mt -118.11 110.35 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.5 p -94.55 -58.92 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -131.42 148.51 52.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.38 80.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.29 173.15 23.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.73 -175.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.58 156.23 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.9 t80 -163.06 117.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 6.0 mpt_? 65.62 41.55 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.1 34.55 11.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.74 143.44 21.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.699 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 26' ' ' PRO . 59.2 m95 -157.2 137.82 13.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -73.53 145.61 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -61.83 -7.51 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.53 -17.31 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 75.5 m -90.18 -34.62 15.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -75.97 49.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.856 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.8 m -99.97 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.8 t -60.1 168.1 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 35' ' ' THR . 27.3 m -105.64 -6.69 19.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -114.75 -37.32 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.56 -7.72 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 55.38 49.52 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -100.42 130.13 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.856 ' HA ' HG12 ' A' ' 33' ' ' VAL . 72.7 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 5.7 mp -33.52 -51.16 0.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -47.12 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 66.2 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.916 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.27 138.6 13.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.6 t -42.9 143.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 26' ' ' PRO . 20.5 m -97.07 -24.14 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.599 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -61.14 -67.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.05 -11.73 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 72.04 49.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 3.7 mptt -126.15 160.15 58.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.42 65.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.8 mt -117.64 104.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 p -93.28 -37.68 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 18' ' ' GLY . 97.9 m -146.97 163.17 37.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.587 ' N ' HG22 ' A' ' 17' ' ' THR . . . 47.34 79.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 173.23 23.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.98 -175.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.35 147.9 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.4 t80 -155.99 117.38 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.07 45.37 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 59.55 35.51 22.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -145.28 141.6 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.79 153.35 68.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.6 m95 -153.97 135.15 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.468 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -72.63 143.86 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -57.94 -11.19 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 33' ' ' VAL . 10.8 mt-10 -110.42 -24.21 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 99.1 m -83.78 -30.4 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -78.64 44.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.7 m -93.63 179.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' CB ' ' H ' ' A' ' 39' ' ' LYS . 9.5 t -65.57 167.98 8.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' THR . 47.7 m -105.51 -4.7 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 -34.4 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -120.45 -7.75 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 mmt180 55.97 50.07 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 35.1 mtpt -98.18 131.99 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.687 ' HA ' HG12 ' A' ' 33' ' ' VAL . 59.0 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 41.1 mt -32.78 -55.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -44.3 -64.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 41.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.889 0.375 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -119.91 139.24 13.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -43.75 145.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 26' ' ' PRO . 18.5 m -98.25 -25.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.609 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.71 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -94.26 -11.25 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.26 49.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.12 160.74 55.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.05 66.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.496 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.5 mt -118.8 109.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.1 p -95.32 -55.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -131.04 150.01 52.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.82 81.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.15 170.23 25.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.71 -175.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 149.5 40.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -155.9 117.23 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.17 43.91 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.23 35.28 18.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.67 142.56 19.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.563 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.77 151.81 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.609 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.5 m95 -153.35 134.82 14.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.3 m170 -72.48 144.64 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -58.43 -10.89 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 33' ' ' VAL . 17.4 mt-10 -110.96 -23.13 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 94.7 m -84.63 -30.37 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.25 44.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.673 HG12 ' HA ' ' A' ' 40' ' ' GLN . 31.0 m -93.82 179.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.6 t -62.74 168.52 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.468 ' O ' HG22 ' A' ' 35' ' ' THR . 26.2 m -105.16 -6.62 19.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.01 -37.76 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.81 -4.32 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 29.3 mmt-85 51.62 49.25 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -98.99 137.57 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.673 ' HA ' HG12 ' A' ' 33' ' ' VAL . 68.6 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.2 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.1 mt -31.91 -56.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -41.75 -61.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 50.4 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.953 0.406 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.83 141.55 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.7 t -45.29 144.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 26' ' ' PRO . 18.3 m -97.57 -25.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -60.03 -66.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.0 p -93.13 -11.47 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.6 mmmt 71.54 49.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.06 161.48 51.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.53 66.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.0 mt -118.76 111.64 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.35 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 m -130.69 151.56 51.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.4 78.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.55 168.43 25.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 -175.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 155.4 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.1 t80 -162.48 117.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.8 mpt_? 65.74 42.62 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 62.43 35.15 15.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -144.8 142.33 18.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.551 0.691 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.513 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 153.16 69.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.591 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.5 m95 -153.96 134.02 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -70.99 147.65 48.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -63.65 -5.57 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -118.45 -11.12 10.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.1 m -96.21 -31.93 12.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -77.6 46.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.8 m -96.97 -176.79 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 8.0 t -68.03 169.58 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 m -107.16 -8.53 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -113.3 -34.18 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.5 p -121.75 -1.8 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 48.46 49.64 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -94.88 137.54 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.798 ' HA ' HG12 ' A' ' 33' ' ' VAL . 65.0 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 17.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' CD2' ' H ' ' A' ' 56' ' ' LEU . 3.4 mm? -32.63 -57.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -41.85 -68.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 21.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -115.66 140.89 16.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.6 t -44.16 143.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.5 m -97.04 -24.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -61.17 -67.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -91.39 -12.05 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.19 49.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.21 160.96 54.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.37 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.1 mt -122.06 114.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -102.78 -55.9 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -128.52 145.54 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.74 79.25 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.1 167.3 25.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.39 -175.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.76 157.43 45.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.6 t80 -163.39 115.33 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.587 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.4 mpt_? 65.7 44.11 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.11 34.91 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -144.51 142.67 19.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.68 154.28 68.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 65.9 m95 -155.1 137.68 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.489 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.6 m170 -74.0 148.36 42.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.52 -6.55 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.87 -16.48 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 95.9 m -91.25 -32.54 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.23 47.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.838 HG12 ' HA ' ' A' ' 40' ' ' GLN . 25.5 m -98.31 -179.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 13.2 t -64.31 167.32 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 35' ' ' THR . 10.5 m -104.32 -5.8 21.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -114.18 -41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -112.68 -8.28 13.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 55.95 48.37 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -100.36 131.38 46.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.838 ' HA ' HG12 ' A' ' 33' ' ' VAL . 63.2 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.895 0.379 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' CYS . 90.0 mt -32.47 -52.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -49.38 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 57.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.92 0.391 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.62 140.22 15.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LYS . 10.2 t -43.6 142.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 26' ' ' PRO . 17.8 m -97.04 -23.56 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -61.69 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -92.02 -13.73 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 20.7 mmmt 74.18 49.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.0 mptt -126.02 160.9 54.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.4 mt -121.39 110.76 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -97.31 -63.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -123.35 136.14 54.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.71 82.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.71 163.21 27.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.83 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.7 t80 -162.46 115.04 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.586 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.04 43.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 62.18 34.98 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -144.85 142.21 18.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.561 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.2 Cg_endo -69.71 154.81 67.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.4 m95 -155.41 136.46 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -73.06 145.5 46.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -60.18 -9.2 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.7 mt-10 -113.03 -21.29 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.4 m -86.72 -31.81 20.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -76.88 48.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.5 m -97.52 -179.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.0 t -65.36 168.42 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 35' ' ' THR . 25.0 m -104.99 -5.66 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.39 -33.33 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.058 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.7 p -122.57 3.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 51.0 mmt-85 43.7 50.94 6.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -97.96 129.39 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.895 ' HA ' HG12 ' A' ' 33' ' ' VAL . 55.0 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.6 mp -33.19 -51.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.24 -70.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 96.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.914 0.388 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -118.68 141.25 15.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.8 t -45.24 143.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.0 m -96.18 -24.75 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -59.81 -66.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.8 p -92.65 -13.98 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.7 mmmt 74.69 46.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.85 161.6 45.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.6 69.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -121.06 113.88 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 p -99.51 -61.06 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -127.51 145.81 50.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.63 82.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.88 174.18 23.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.6 -175.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.943 0.401 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 146.53 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -153.07 116.99 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.586 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 66.32 46.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.59 35.92 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -145.24 142.88 18.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.7 m95 -154.73 137.76 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.5 m170 -73.87 148.66 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -63.97 -6.11 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -117.16 -15.63 10.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.7 m -91.12 -34.41 15.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -75.88 50.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.926 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.3 m -102.46 176.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 17.2 t -61.79 166.17 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 35' ' ' THR . 22.8 m -104.56 -2.14 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -116.22 -38.61 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.0 p -115.85 -12.43 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 23.7 mmm180 63.06 42.78 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 33.9 mtmt -90.65 131.42 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.926 ' HA ' HG12 ' A' ' 33' ' ' VAL . 77.2 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 24.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 16.8 mt -33.62 -57.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -44.58 -65.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 20.0 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.6 140.57 13.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -44.1 144.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.6 m -97.17 -25.66 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.47 -66.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.38 -11.68 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.42 50.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.6 mptt -126.28 161.42 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.51 68.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.4 mt -121.91 113.87 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -99.3 -59.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -128.63 143.51 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.05 163.52 26.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 27' ' ' TRP . 4.3 m -137.1 -175.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.02 146.42 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -153.28 116.45 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 66.24 46.49 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 58.82 35.61 24.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -144.91 142.27 18.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.536 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.1 Cg_endo -69.78 153.1 69.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.8 m95 -154.31 138.17 16.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.9 m170 -74.85 145.96 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.05 -8.05 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.14 -20.06 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 96.3 m -88.04 -32.86 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -75.78 49.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.82 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.4 m -100.35 175.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.2 t -57.92 168.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' THR . 55.0 m -106.68 -2.6 21.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.22 -34.6 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 p -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.6 mmm180 57.12 49.91 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -98.32 129.78 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.82 ' HA ' HG12 ' A' ' 33' ' ' VAL . 71.7 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.435 ' N ' ' HG ' ' A' ' 34' ' ' CYS . 17.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.66 -58.67 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -44.21 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -109.14 141.09 15.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.0 t -44.14 143.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.5 m -96.93 -24.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -60.26 -66.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -92.34 -12.03 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.2 mmmt 72.12 49.99 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.38 161.52 51.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.34 68.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.6 113.95 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -98.98 -59.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 m -128.35 144.31 51.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.39 81.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.14 167.9 25.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.5 m -141.05 -175.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.7 149.77 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.9 t80 -156.7 116.62 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.5 mpt_? 65.97 45.38 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 60.17 35.61 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -144.76 141.98 18.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.3 Cg_endo -69.76 155.33 66.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 64.0 m95 -156.42 138.11 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -74.65 145.98 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -61.27 -8.28 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -113.99 -18.09 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.0 m -89.21 -33.97 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -76.65 48.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.889 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.9 m -98.86 173.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.48 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 13.9 t -59.08 167.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.539 ' O ' HG22 ' A' ' 35' ' ' THR . 45.5 m -105.74 -3.09 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.38 -35.58 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.5 p -119.45 -10.56 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 37.4 mmt-85 60.32 46.46 10.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.0 mtmt -95.56 132.25 40.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.889 ' HA ' HG12 ' A' ' 33' ' ' VAL . 30.5 mt-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 34' ' ' CYS . 18.3 p . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.7 mm? -31.83 -59.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -40.4 -64.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 33.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.97 138.87 14.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.4 t -42.37 143.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.8 m -97.2 -24.22 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp-100 -61.36 -67.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -91.57 -11.97 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.09 49.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.5 mptt -126.07 161.01 54.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.682 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 150.23 67.42 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.6 mt -120.69 108.59 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -94.62 -51.84 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -134.21 154.25 51.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.95 79.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.31 165.8 26.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.7 -174.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.51 148.66 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.588 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.15 46.55 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 58.84 36.11 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.99 141.34 17.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.73 151.99 69.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 74.2 m95 -152.86 135.07 14.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.473 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.0 m170 -72.64 144.92 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -59.8 -9.7 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 33' ' ' VAL . 9.3 mt-10 -112.28 -22.18 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.8 m -85.69 -32.5 21.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.91 48.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.2 m -100.96 178.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 11.7 t -63.07 167.23 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 35' ' ' THR . 56.9 m -104.76 -1.55 26.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -119.63 -38.6 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.53 -7.92 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.8 mmm180 57.26 47.5 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -96.63 131.88 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.788 ' HA ' HG12 ' A' ' 33' ' ' VAL . 46.5 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 56' ' ' LEU . 28.4 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.4 mm? -28.86 -47.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -54.93 -67.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 66.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.88 140.35 14.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.2 t -43.93 144.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 26' ' ' PRO . 16.3 m -97.83 -24.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.89 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 25.7 p -92.54 -13.23 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 73.53 49.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.63 161.35 51.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.37 66.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.484 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -119.46 108.82 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 p -94.73 -59.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m -127.79 147.18 50.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 80.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.02 167.25 26.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.14 -175.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.47 154.01 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -160.31 117.6 2.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.3 mpt_? 65.94 41.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 63.96 34.95 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -144.08 142.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.79 152.03 69.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.8 m95 -153.1 134.54 14.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.484 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -71.89 145.21 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -60.16 -9.43 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.0 mt-10 -112.36 -22.17 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 87.5 m -84.88 -33.66 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -76.15 48.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.0 m -98.77 174.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 12.7 t -59.69 167.88 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -106.59 -6.63 17.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -112.15 -33.89 6.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 30.6 p -121.51 -12.21 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 10.5 mmm180 60.96 46.5 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 24.0 mtmt -95.22 140.31 30.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.64 ' HA ' HG12 ' A' ' 33' ' ' VAL . 76.2 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' LEU . 10.6 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' H ' HD22 ' A' ' 56' ' ' LEU . 4.1 mm? -34.69 -64.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -34.2 -52.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 15.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -119.59 142.38 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.0 t -45.09 143.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.8 m -96.5 -24.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -60.62 -67.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -91.57 -12.92 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 28.0 mmmt 73.18 47.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -123.94 161.68 45.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.891 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.54 68.69 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.3 mt -120.4 110.55 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.7 p -97.23 -61.25 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.4 m -127.87 142.2 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.67 83.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.04 174.99 24.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.61 -175.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.51 152.4 45.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.2 t80 -159.0 116.7 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.582 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.9 mpt_? 65.97 43.55 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 62.07 34.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -144.22 142.87 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.527 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.3 Cg_endo -69.71 154.2 68.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.7 m95 -155.48 137.7 14.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -73.9 146.77 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -61.76 -8.08 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -114.48 -18.07 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.1 m -89.83 -32.3 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -76.45 48.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.906 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.7 m -99.23 -177.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.7 t -63.49 168.51 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 35' ' ' THR . 40.0 m -104.55 -7.03 20.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.27 -39.24 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.36 -4.52 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.8 mmt180 51.5 50.03 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -98.89 130.85 45.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.906 ' HA ' HG12 ' A' ' 33' ' ' VAL . 76.1 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.495 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.3 p . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.2 mp -30.12 -50.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -49.45 -66.86 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 58.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.17 139.85 13.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' LYS . 5.9 t -44.99 145.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 26' ' ' PRO . 25.0 m -97.39 -26.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -58.63 -65.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.1 p -93.0 -14.14 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.9 mmmt 74.46 47.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.86 161.57 45.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.21 68.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.9 mt -120.64 115.56 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.7 p -100.65 -57.66 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -129.44 151.38 50.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.19 82.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.08 171.03 24.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.441 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -145.63 -174.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 152.26 43.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.6 t80 -158.38 116.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.591 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER 66.4 42.91 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.67 35.24 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -144.85 143.58 21.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.76 154.74 67.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.3 m95 -156.17 136.95 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 14.4 m170 -73.49 146.53 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -62.05 -7.5 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -114.78 -17.27 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -89.91 -34.04 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -76.53 48.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.0 m -98.8 -177.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.9 t -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 m -105.14 -7.98 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.78 -37.68 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -116.34 -6.37 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.0 mmt85 53.47 49.17 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -97.76 129.35 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.89 ' HA ' HG12 ' A' ' 33' ' ' VAL . 24.3 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LEU . 11.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.5 mm? -33.85 -59.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 t-20 -37.35 -54.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.95 139.68 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.0 t -43.82 143.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.6 m -97.3 -23.51 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.8 tp60 -61.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.36 -12.39 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 72.83 49.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.17 160.67 56.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.515 0.674 . . . . 0.0 110.869 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.16 67.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' A' ' 28' ' ' HIS . 10.9 mt -120.64 112.75 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 p -99.24 -56.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -129.7 148.78 51.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.61 82.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.64 171.05 25.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.94 -175.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.16 154.47 44.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -161.47 118.6 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.595 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 mpt_? 65.47 42.43 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.57 35.21 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -144.58 142.49 19.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.556 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.79 154.83 67.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.1 m95 -155.58 135.42 12.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.1 m170 -72.2 148.27 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -63.96 -5.38 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -119.12 -10.93 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 70.6 m -96.4 -29.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -80.03 46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 40' ' ' GLN . 27.6 m -95.3 173.13 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 18.5 t -60.5 166.14 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 35' ' ' THR . 23.4 m -105.02 -1.98 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.41 -36.61 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 25.7 p -118.94 -13.03 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.5 mmt180 63.46 42.93 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 36.9 mtmt -92.2 136.41 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.739 ' HA ' HG12 ' A' ' 33' ' ' VAL . 63.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.6 mm? -34.13 -51.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -45.72 -55.92 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 47.8 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -115.24 140.92 16.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.7 t -44.21 143.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.6 m -96.25 -24.75 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 3.9 tp-100 -60.55 -68.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.9 p -90.57 -13.7 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.6 mmmt 74.21 46.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -122.92 161.68 43.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.61 67.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.0 mt -118.73 114.84 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 p -100.94 -65.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 m -122.83 142.75 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.84 83.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.76 170.77 25.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.71 -179.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.14 154.74 50.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 9.4 t80 -161.1 115.75 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 65.21 45.36 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 60.51 35.01 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -144.31 140.83 17.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.2 Cg_endo -69.75 152.26 69.3 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 73.3 m95 -152.51 135.23 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.7 m170 -72.12 145.91 47.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -60.79 -8.78 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -113.6 -19.69 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 97.1 m -88.73 -31.5 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -76.51 48.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.926 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.4 m -97.09 176.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 14.8 t -59.87 165.43 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 35' ' ' THR . 90.7 m -104.9 -1.29 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.27 -35.67 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.475 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.6 p -119.1 -11.55 9.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.3 mmm180 61.36 46.56 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 27.0 mtmt -95.61 133.21 39.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.926 ' HA ' HG12 ' A' ' 33' ' ' VAL . 67.8 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 9.2 mp -33.36 -50.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.88 -50.59 26.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 14.9 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -109.67 141.82 16.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.461 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -45.21 144.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.9 m -97.7 -25.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.69 -66.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -93.01 -11.48 33.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 29.0 mmmt 71.25 50.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.1 mptt -126.57 161.46 52.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 150.6 68.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.533 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.0 mt -121.17 112.24 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -96.4 -58.37 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 m -130.93 147.22 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.66 80.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.92 167.97 25.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.6 m -140.42 -175.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.164 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 143.87 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.6 t80 -150.2 115.92 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.8 46.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 59.23 34.97 23.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.22 142.94 20.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.533 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.72 153.51 69.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 59.8 m95 -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.533 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.1 m170 -74.66 144.36 43.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.48 -10.04 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 33' ' ' VAL . 6.6 mt-10 -111.4 -21.65 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 80.6 m -85.6 -33.97 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -76.81 47.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 m -98.73 174.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.408 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 20.3 t -61.86 165.6 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 35' ' ' THR . 80.4 m -103.93 -1.18 28.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.17 -37.74 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.8 p -116.85 -11.63 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 26.0 mmt-85 61.21 46.9 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.2 mtmt -96.71 132.06 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.732 ' HA ' HG12 ' A' ' 33' ' ' VAL . 77.9 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.9 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' CYS . 94.7 mt -30.86 -56.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -41.9 -60.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -111.24 140.33 16.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.9 t -44.07 144.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.2 m -97.68 -24.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.73 -67.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.72 -12.32 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 21.7 mmmt 72.5 50.14 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.26 160.54 57.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.685 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.44 68.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.499 HG12 ' CD2' ' A' ' 28' ' ' HIS . 11.7 mt -121.4 106.64 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 p -97.13 -36.75 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -149.89 147.8 28.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.55 75.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.44 174.03 23.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 m -147.48 -175.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.87 145.96 38.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -155.17 116.58 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.35 46.17 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.11 35.01 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -145.36 141.47 17.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.543 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.75 156.85 62.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.2 m95 -157.24 136.29 11.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.499 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.8 m170 -73.32 144.43 46.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -60.04 -8.81 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -113.84 -16.98 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.4 m -90.45 -33.44 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.79 49.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.91 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.9 m -98.36 -178.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 8.6 t -65.33 168.61 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 35' ' ' THR . 32.8 m -105.12 -5.11 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.32 -35.68 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -120.98 3.71 10.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.0 mmt85 43.47 49.71 6.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -98.09 126.83 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.91 ' HA ' HG12 ' A' ' 33' ' ' VAL . 58.5 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.511 ' N ' ' HG ' ' A' ' 34' ' ' CYS . 14.5 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 36.4 mt -32.66 -62.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -39.3 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 23.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -114.98 141.25 16.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.9 t -44.69 144.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.0 m -97.06 -25.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.16 -67.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.91 -11.73 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 71.49 49.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.7 mptt -126.22 161.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.72 68.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.252 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.7 mt -120.79 115.1 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -102.47 -57.17 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -128.44 144.16 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.12 84.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.07 169.19 26.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.4 m -143.61 -176.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.384 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 148.83 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.5 t80 -155.15 114.75 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.587 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.5 47.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 58.97 35.69 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -145.1 142.33 18.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.77 154.64 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.9 m95 -156.02 137.93 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.528 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.3 m170 -74.3 148.4 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -64.25 -5.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -119.38 -9.46 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 68.3 m -97.6 -32.99 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.53 46.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.438 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 22.3 m -94.48 178.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 12.1 t -63.19 167.1 5.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.562 ' O ' HG22 ' A' ' 35' ' ' THR . 73.5 m -104.04 -2.93 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -118.85 -39.94 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.36 -6.86 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 17.1 mmt180 55.09 48.17 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -95.57 139.22 32.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HA ' HG12 ' A' ' 33' ' ' VAL . 46.3 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.3 mp -31.3 -52.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -45.98 -66.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 95.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.915 0.388 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -110.92 140.95 16.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.9 t -44.31 144.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.6 m -97.65 -24.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.3 tp-100 -60.79 -66.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 p -91.57 -14.44 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 26.4 mmmt 74.64 48.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.08 161.18 50.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.554 0.692 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.14 69.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.44 113.64 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.3 p -100.49 -56.18 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m -129.65 147.43 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 29' ' ' LYS . . . 62.39 82.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.68 170.09 25.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.09 -175.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.31 144.46 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -150.91 116.84 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.581 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER 66.83 47.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 57.65 36.32 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -145.79 143.3 19.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.3 Cg_endo -69.77 153.83 68.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.4 m95 -155.71 137.65 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.4 m170 -73.87 148.94 41.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' NZ ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 ttmt -64.2 -5.67 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -118.03 -14.45 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 67.5 m -91.86 -34.31 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.86 49.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.922 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.2 m -100.67 175.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.432 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 18.6 t -61.91 165.88 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.56 ' O ' HG22 ' A' ' 35' ' ' THR . 38.4 m -105.8 -1.22 24.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.9 -33.41 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.9 -14.99 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.2 mmm180 66.39 45.64 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -92.2 129.24 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.922 ' HA ' HG12 ' A' ' 33' ' ' VAL . 79.0 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 21.9 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 98.1 mt -33.49 -47.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -50.96 -51.32 53.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 33.6 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -120.81 42.45 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -104.32 81.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.14 108.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -107.56 156.36 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -79.3 109.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.72 139.71 12.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.485 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.6 t -43.56 144.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.2 m -96.71 -25.38 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.0 tp-100 -60.17 -68.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -90.52 -13.4 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.8 mmmt 73.28 48.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -124.84 161.84 46.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 148.27 64.47 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.2 mt -117.35 109.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -94.87 -57.67 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -129.24 154.22 47.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.43 81.84 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 168.06 25.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.08 -175.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.39 153.73 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -158.93 114.53 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.589 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER 65.79 46.65 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.63 35.63 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -144.4 141.26 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.606 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.79 150.02 67.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 75.7 m95 -151.01 133.88 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.478 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -71.19 147.13 48.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.0 -6.28 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -116.77 -16.91 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.2 m -90.71 -33.09 15.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 3.5 t80 -76.07 48.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.897 HG12 ' HA ' ' A' ' 40' ' ' GLN . 34.0 m -97.79 -178.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.04 167.56 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 58.6 m -104.72 -4.0 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -118.21 -37.62 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.5 p -117.11 -3.62 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 33.8 mmm-85 51.26 49.64 20.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -95.6 131.57 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.897 ' HA ' HG12 ' A' ' 33' ' ' VAL . 57.9 mt-30 -55.93 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 mt -67.56 -29.22 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.0 m -50.1 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.95 -53.39 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -81.95 179.21 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -77.34 143.62 38.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -165.58 151.82 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.9 131.07 14.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.56 149.63 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -94.28 -53.62 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -133.68 -56.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.74 -41.66 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.71 164.54 15.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.08 130.3 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 94.4 m-85 -126.99 114.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.6 p -54.6 140.68 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.3 mm? -31.7 -55.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -42.82 -66.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 61.2 m -58.99 -46.7 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -48.09 -43.45 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.4 m -93.08 27.51 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -132.54 -48.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.41 -58.76 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -83.69 -55.77 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.54 152.96 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -164.12 156.52 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.64 -171.6 39.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -167.19 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -70.59 -67.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -94.05 64.85 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -159.51 116.49 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -50.18 122.63 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 171.08 17.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -165.1 146.6 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -58.19 97.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.69 140.96 16.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 t -43.52 144.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.2 m -98.28 -24.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.2 tp-100 -61.01 -66.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.5 p -93.04 -11.43 33.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.7 mmmt 71.25 49.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 mptt -126.24 161.03 54.48 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.53 65.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.276 . . . . 0.0 112.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.2 mt -118.11 110.35 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.5 p -94.55 -58.92 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -131.42 148.51 52.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.38 80.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.29 173.15 23.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.73 -175.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.58 156.23 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.9 t80 -163.06 117.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 6.0 mpt_? 65.62 41.55 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.1 34.55 11.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.74 143.44 21.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.699 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 26' ' ' PRO . 59.2 m95 -157.2 137.82 13.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -73.53 145.61 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -61.83 -7.51 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.53 -17.31 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 75.5 m -90.18 -34.62 15.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -75.97 49.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.856 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.8 m -99.97 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.481 ' HA ' HD11 ' A' ' 41' ' ' LEU . 9.8 t -60.1 168.1 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 27.3 m -105.64 -6.69 19.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -114.75 -37.32 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.56 -7.72 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 55.38 49.52 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -100.42 130.13 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.856 ' HA ' HG12 ' A' ' 33' ' ' VAL . 72.7 mt-30 -43.75 122.51 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 34' ' ' CYS . 43.8 mt -109.28 26.71 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -88.75 -55.56 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.19 -44.41 8.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -78.04 168.61 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -74.32 151.86 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -146.88 161.59 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -160.03 123.48 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.56 140.02 34.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -54.5 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.19 -56.46 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -133.88 -43.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -86.55 171.88 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.16 133.33 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 86.2 m-85 -132.63 127.37 34.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p -65.11 143.34 57.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 5.7 mp -33.52 -51.16 0.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -47.12 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 66.2 m -54.25 -45.26 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -47.47 -45.57 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.8 m -90.75 27.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -132.68 -46.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.57 -51.74 26.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -89.91 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -84.17 175.98 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.9 m -125.91 44.0 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.58 75.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 p -39.12 -53.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.8 p -63.48 151.6 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.523 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -117.16 140.27 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t -148.68 146.54 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.96 99.01 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -75.61 151.51 37.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -61.37 106.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.27 138.6 13.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.6 t -42.9 143.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 26' ' ' PRO . 20.5 m -97.07 -24.14 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.599 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -61.14 -67.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.05 -11.73 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 72.04 49.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 3.7 mptt -126.15 160.15 58.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.42 65.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.8 mt -117.64 104.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 p -93.28 -37.68 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 18' ' ' GLY . 97.9 m -146.97 163.17 37.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.587 ' N ' HG22 ' A' ' 17' ' ' THR . . . 47.34 79.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 173.23 23.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.98 -175.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.35 147.9 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.4 t80 -155.99 117.38 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.07 45.37 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 59.55 35.51 22.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -145.28 141.6 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.79 153.35 68.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.6 m95 -153.97 135.15 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.468 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -72.63 143.86 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -57.94 -11.19 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 33' ' ' VAL . 10.8 mt-10 -110.42 -24.21 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 99.1 m -83.78 -30.4 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -78.64 44.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.7 m -93.63 179.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' CB ' ' H ' ' A' ' 39' ' ' LYS . 9.5 t -65.57 167.98 8.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' THR . 47.7 m -105.51 -4.7 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 -34.4 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -120.45 -7.75 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 mmt180 55.97 50.07 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 35.1 mtpt -98.18 131.99 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.687 ' HA ' HG12 ' A' ' 33' ' ' VAL . 59.0 mt-30 -53.32 93.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -70.34 -3.51 17.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -79.69 42.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.59 -31.94 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -110.04 150.57 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -56.98 124.3 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -128.97 174.68 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.1 t -167.64 126.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 150.21 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -97.29 -55.2 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -123.01 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.71 -41.66 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -83.65 165.55 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.06 146.05 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 91.2 m-85 -144.44 118.83 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.5 p -61.52 141.43 57.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 41.1 mt -32.78 -55.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -44.3 -64.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.02 -46.27 85.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -47.64 -44.68 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.447 ' C ' ' HB3' ' A' ' 64' ' ' ALA . 2.1 t -89.03 26.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -133.45 -49.21 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.34 -62.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -77.67 -41.5 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.447 ' HB3' ' C ' ' A' ' 60' ' ' CYS . . . -72.67 179.68 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -139.63 147.16 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.48 -157.93 8.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.6 Cg_endo -69.76 2.07 3.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' PRO . 4.9 t -34.59 111.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.7 t -39.2 132.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.485 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -93.81 40.0 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -86.0 -50.96 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.02 -147.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -153.05 116.43 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -53.01 107.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -119.91 139.24 13.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -43.75 145.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 26' ' ' PRO . 18.5 m -98.25 -25.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.609 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.71 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -94.26 -11.25 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.26 49.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.12 160.74 55.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.05 66.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.496 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.5 mt -118.8 109.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.1 p -95.32 -55.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -131.04 150.01 52.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.82 81.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.15 170.23 25.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.71 -175.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 149.5 40.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -155.9 117.23 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.17 43.91 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.23 35.28 18.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.67 142.56 19.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.563 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.77 151.81 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.609 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.5 m95 -153.35 134.82 14.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.3 m170 -72.48 144.64 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -58.43 -10.89 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 33' ' ' VAL . 17.4 mt-10 -110.96 -23.13 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 94.7 m -84.63 -30.37 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.25 44.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.673 HG12 ' HA ' ' A' ' 40' ' ' GLN . 31.0 m -93.82 179.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.6 t -62.74 168.52 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 26.2 m -105.16 -6.62 19.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.01 -37.76 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.81 -4.32 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 29.3 mmt-85 51.62 49.25 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -98.99 137.57 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.673 ' HA ' HG12 ' A' ' 33' ' ' VAL . 68.6 mt-30 -53.8 101.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 46.8 mt -77.49 -15.35 59.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -57.61 -46.2 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.86 43.37 2.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 6.9 pt20 -175.05 -177.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -99.04 131.33 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -126.79 161.07 29.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 47' ' ' THR . 4.0 t -144.97 113.91 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.31 133.78 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.9 tpt85 -85.77 -54.23 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -126.48 -62.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -132.74 -42.6 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -87.23 169.97 11.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.15 157.41 16.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.556 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 99.0 m-85 -152.77 111.06 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.2 p -50.46 139.65 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.1 mt -31.91 -56.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -41.75 -61.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 50.4 m -62.7 -43.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.14 -41.33 35.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.8 m -96.34 27.1 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.68 -45.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.0 mt -70.45 -59.79 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.37 -49.72 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -85.31 91.97 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.075 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -118.44 46.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 63.12 -148.57 50.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 53.7 Cg_endo -69.77 178.58 4.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -91.54 42.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 145.37 40.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.493 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -60.23 153.72 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p 42.98 41.85 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.66 40.22 2.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.1 t -78.54 -67.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.6 m -34.28 110.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.83 141.55 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.7 t -45.29 144.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 26' ' ' PRO . 18.3 m -97.57 -25.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -60.03 -66.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.0 p -93.13 -11.47 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.6 mmmt 71.54 49.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.06 161.48 51.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.53 66.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.0 mt -118.76 111.64 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.35 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 m -130.69 151.56 51.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.4 78.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.55 168.43 25.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 -175.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 155.4 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.1 t80 -162.48 117.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.8 mpt_? 65.74 42.62 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 62.43 35.15 15.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -144.8 142.33 18.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.551 0.691 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 153.16 69.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.591 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.5 m95 -153.96 134.02 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -70.99 147.65 48.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -63.65 -5.57 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -118.45 -11.12 10.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.1 m -96.21 -31.93 12.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -77.6 46.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.8 m -96.97 -176.79 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 t -68.03 169.58 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 11.9 m -107.16 -8.53 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -113.3 -34.18 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.5 p -121.75 -1.8 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 48.46 49.64 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -94.88 137.54 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.798 ' HA ' HG12 ' A' ' 33' ' ' VAL . 65.0 mt-30 -63.19 93.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 12.7 mt -70.25 -26.18 63.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -48.86 90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 138.65 -44.44 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 17.9 pm0 -100.71 150.55 22.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -50.13 137.05 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -132.61 173.88 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -160.6 141.83 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.83 152.94 33.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -100.89 -55.75 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -67.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -132.1 -36.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -87.44 159.87 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.47 140.99 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 98.5 m-85 -132.25 110.24 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 17.1 p -47.65 141.93 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 3.4 mm? -32.63 -57.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -41.85 -68.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 21.7 m -53.33 -47.27 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -48.84 -43.56 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 2.2 t -92.31 25.96 2.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.08 -57.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.45 -62.08 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.06 -49.77 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -88.22 86.62 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -115.08 44.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.13 -173.83 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 t -112.32 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -63.56 91.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -160.53 112.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -90.35 -51.16 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 101.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.29 140.52 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -93.72 98.68 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -115.66 140.89 16.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.6 t -44.16 143.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.5 m -97.04 -24.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -61.17 -67.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -91.39 -12.05 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.19 49.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.21 160.96 54.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.37 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.1 mt -122.06 114.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -102.78 -55.9 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -128.52 145.54 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.74 79.25 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.1 167.3 25.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.39 -175.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.76 157.43 45.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.6 t80 -163.39 115.33 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.587 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.4 mpt_? 65.7 44.11 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.11 34.91 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -144.51 142.67 19.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.68 154.28 68.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 65.9 m95 -155.1 137.68 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.489 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.6 m170 -74.0 148.36 42.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.52 -6.55 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.87 -16.48 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 95.9 m -91.25 -32.54 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.23 47.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.838 HG12 ' HA ' ' A' ' 40' ' ' GLN . 25.5 m -98.31 -179.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' HA ' HD11 ' A' ' 41' ' ' LEU . 13.2 t -64.31 167.32 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.562 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 10.5 m -104.32 -5.8 21.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -114.18 -41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -112.68 -8.28 13.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 55.95 48.37 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -100.36 131.38 46.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.838 ' HA ' HG12 ' A' ' 33' ' ' VAL . 63.2 mt-30 -47.8 123.71 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 34' ' ' CYS . 12.6 mt -110.41 29.86 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 m -83.97 -23.35 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.87 -46.08 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -80.39 -175.97 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 2.9 mmm180 -94.59 140.76 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 47' ' ' THR . 12.3 p90 -114.53 -29.41 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 47' ' ' THR . 14.7 t 31.04 47.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.05 140.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 63' ' ' TYR . 2.1 tpm_? -70.05 -60.34 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.59 -64.92 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -124.49 -36.24 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.1 m-85 -89.82 130.45 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 46' ' ' PHE . . . -84.16 126.19 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 97.3 m-85 -124.39 110.04 14.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.4 p -42.78 143.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' CYS . 90.0 mt -32.47 -52.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -49.38 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 57.0 m -47.45 -42.46 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.03 -39.07 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -95.47 28.51 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.79 -46.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 mt -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 m-85 -84.04 -57.62 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.04 146.77 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -85.46 158.96 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.38 151.1 18.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.35 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.6 t -83.76 -56.64 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 p -92.02 83.8 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.201 -0.777 . . . . 0.0 112.474 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -69.28 135.83 51.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m 53.75 44.73 29.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.61 -96.84 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.07 122.3 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -60.59 97.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.62 140.22 15.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LYS . 10.2 t -43.6 142.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 26' ' ' PRO . 17.8 m -97.04 -23.56 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -61.69 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -92.02 -13.73 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 20.7 mmmt 74.18 49.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.0 mptt -126.02 160.9 54.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.4 mt -121.39 110.76 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -97.31 -63.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -123.35 136.14 54.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.71 82.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.71 163.21 27.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.83 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.7 t80 -162.46 115.04 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.586 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.04 43.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 62.18 34.98 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -144.85 142.21 18.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.561 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.2 Cg_endo -69.71 154.81 67.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.4 m95 -155.41 136.46 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -73.06 145.5 46.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -60.18 -9.2 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.7 mt-10 -113.03 -21.29 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.4 m -86.72 -31.81 20.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -76.88 48.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.5 m -97.52 -179.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.36 168.42 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.534 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 25.0 m -104.99 -5.66 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.39 -33.33 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.058 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.7 p -122.57 3.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 51.0 mmt-85 43.7 50.94 6.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -97.96 129.39 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.895 ' HA ' HG12 ' A' ' 33' ' ' VAL . 55.0 mt-30 -49.5 110.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 mt -93.06 30.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 p -91.4 39.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.6 48.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -161.07 161.11 31.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -76.36 47.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -48.64 128.44 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 t -120.62 130.31 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.8 138.64 32.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -83.32 -59.66 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.6 -64.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.43 -37.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -86.55 158.23 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.42 135.9 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 91.7 m-85 -132.73 116.95 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p -52.71 145.44 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.6 mp -33.19 -51.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.24 -70.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 96.8 m -52.4 -46.61 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.77 -43.66 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.759 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.8 m -95.77 28.21 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.34 -46.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.25 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -86.61 -57.61 2.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.759 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -62.53 168.12 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -131.94 174.1 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.71 70.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 114.83 3.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.0 t -68.26 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.8 t -174.35 135.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.483 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -111.98 -60.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -149.84 136.46 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.34 62.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.9 m -122.21 157.95 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -58.91 101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -118.68 141.25 15.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.8 t -45.24 143.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.0 m -96.18 -24.75 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -59.81 -66.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.8 p -92.65 -13.98 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.7 mmmt 74.69 46.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.85 161.6 45.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.6 69.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -121.06 113.88 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 p -99.51 -61.06 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -127.51 145.81 50.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.63 82.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.88 174.18 23.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.6 -175.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.943 0.401 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 146.53 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -153.07 116.99 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.586 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 66.32 46.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.59 35.92 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -145.24 142.88 18.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.7 m95 -154.73 137.76 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.5 m170 -73.87 148.66 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -63.97 -6.11 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -117.16 -15.63 10.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.7 m -91.12 -34.41 15.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -75.88 50.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.926 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.3 m -102.46 176.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HA ' HD11 ' A' ' 41' ' ' LEU . 17.2 t -61.79 166.17 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 35' ' ' THR . 22.8 m -104.56 -2.14 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -116.22 -38.61 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.0 p -115.85 -12.43 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 23.7 mmm180 63.06 42.78 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 33.9 mtmt -90.65 131.42 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.926 ' HA ' HG12 ' A' ' 33' ' ' VAL . 77.2 mt-30 -51.51 111.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 34' ' ' CYS . 19.6 mt -95.48 31.09 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -93.96 47.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.59 -54.88 0.26 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -58.22 148.27 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -62.9 92.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -99.28 151.67 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 t -147.14 120.09 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.05 142.55 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 63' ' ' TYR . 40.1 ttt85 -85.34 -51.4 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -133.27 -70.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.5 -44.0 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.33 160.76 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.75 130.63 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.75 122.04 35.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 24.3 p -55.66 143.86 28.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 16.8 mt -33.62 -57.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -44.58 -65.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 20.0 m -53.55 -47.44 70.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -48.52 -46.87 39.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.598 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.9 t -90.64 25.9 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.0 -56.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.82 -61.03 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.427 ' CZ ' ' HD3' ' A' ' 49' ' ' ARG . 12.9 m-85 -84.46 -56.2 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -62.62 93.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.1 p -141.93 169.14 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.25 92.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.99 35.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.1 p -109.3 40.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.9 p -51.31 145.84 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -44.09 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -47.57 110.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.81 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -90.61 142.14 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -58.25 109.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.6 140.57 13.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -44.1 144.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.6 m -97.17 -25.66 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.47 -66.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.38 -11.68 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.42 50.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.6 mptt -126.28 161.42 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.51 68.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.4 mt -121.91 113.87 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -99.3 -59.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -128.63 143.51 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.05 163.52 26.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 27' ' ' TRP . 4.3 m -137.1 -175.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.02 146.42 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -153.28 116.45 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 66.24 46.49 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 58.82 35.61 24.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -144.91 142.27 18.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.536 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.1 Cg_endo -69.78 153.1 69.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.8 m95 -154.31 138.17 16.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.9 m170 -74.85 145.96 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.05 -8.05 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.14 -20.06 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 96.3 m -88.04 -32.86 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -75.78 49.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.82 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.4 m -100.35 175.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.92 168.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' THR . 55.0 m -106.68 -2.6 21.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.22 -34.6 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 p -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.6 mmm180 57.12 49.91 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -98.32 129.78 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.82 ' HA ' HG12 ' A' ' 33' ' ' VAL . 71.7 mt-30 -48.11 113.44 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.13 33.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 p -88.75 -42.25 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.9 57.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -165.64 162.71 19.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -88.13 49.4 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -39.21 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 47' ' ' THR . 8.9 t -144.22 122.67 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.76 155.38 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HD2' ' CZ ' ' A' ' 63' ' ' TYR . 59.0 ttt85 -99.88 -49.88 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.41 -60.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -134.11 -44.61 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -78.15 155.39 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.89 124.53 49.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.49 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 86.1 m-85 -122.6 112.05 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.1 p -46.6 166.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.66 -58.67 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -44.21 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.3 m -47.46 -48.4 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -49.52 -44.31 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.78 28.37 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -132.29 -45.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.15 -51.95 40.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CZ ' ' HD2' ' A' ' 49' ' ' ARG . 39.9 m-85 -89.95 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.37 137.18 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -112.88 126.1 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 166.26 150.22 6.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 90.55 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.6 p -96.87 110.72 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 t -136.36 162.72 32.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.446 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -54.02 154.76 3.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -104.33 125.33 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.14 67.59 0.13 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -85.01 42.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -64.94 90.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -109.14 141.09 15.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.0 t -44.14 143.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.5 m -96.93 -24.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -60.26 -66.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -92.34 -12.03 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.2 mmmt 72.12 49.99 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.38 161.52 51.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.34 68.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.6 113.95 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -98.98 -59.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 m -128.35 144.31 51.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.39 81.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.14 167.9 25.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.5 m -141.05 -175.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.7 149.77 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.9 t80 -156.7 116.62 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.5 mpt_? 65.97 45.38 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 60.17 35.61 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -144.76 141.98 18.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.3 Cg_endo -69.76 155.33 66.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 64.0 m95 -156.42 138.11 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -74.65 145.98 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -61.27 -8.28 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -113.99 -18.09 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.0 m -89.21 -33.97 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -76.65 48.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.889 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.9 m -98.86 173.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' HA ' HD11 ' A' ' 41' ' ' LEU . 13.9 t -59.08 167.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 45.5 m -105.74 -3.09 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.38 -35.58 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.5 p -119.45 -10.56 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 37.4 mmt-85 60.32 46.46 10.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.0 mtmt -95.56 132.25 40.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.889 ' HA ' HG12 ' A' ' 33' ' ' VAL . 30.5 mt-30 -51.46 114.08 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 34' ' ' CYS . 14.0 mt -98.72 35.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -94.36 -60.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.9 37.9 3.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -159.59 166.2 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -79.13 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -152.64 177.84 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -164.58 134.81 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.17 153.5 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 63' ' ' TYR . 38.6 ttt180 -97.82 -44.56 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -133.3 -61.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.32 -39.18 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -90.23 157.69 17.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.33 158.91 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 96.6 m-85 -148.39 109.06 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p -45.35 139.34 3.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.7 mm? -31.83 -59.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -40.4 -64.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 33.5 m -58.22 -49.27 77.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -47.16 -44.29 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.641 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 2.6 t -88.63 26.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.21 -57.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 mt -53.16 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 49' ' ' ARG . 14.1 m-85 -83.83 -59.25 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -75.19 156.23 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.6 p -122.57 114.18 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.12 -173.84 23.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.67 2.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 m 61.81 41.84 11.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -71.3 86.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -127.51 121.68 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -107.24 104.05 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.24 82.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -47.42 125.32 8.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -59.68 100.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.97 138.87 14.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.4 t -42.37 143.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.8 m -97.2 -24.22 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp-100 -61.36 -67.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -91.57 -11.97 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.09 49.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.5 mptt -126.07 161.01 54.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.682 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 150.23 67.42 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.6 mt -120.69 108.59 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -94.62 -51.84 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -134.21 154.25 51.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.95 79.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.31 165.8 26.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.7 -174.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.51 148.66 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.588 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.15 46.55 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 58.84 36.11 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.99 141.34 17.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.73 151.99 69.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 74.2 m95 -152.86 135.07 14.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.473 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.0 m170 -72.64 144.92 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -59.8 -9.7 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 33' ' ' VAL . 9.3 mt-10 -112.28 -22.18 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.8 m -85.69 -32.5 21.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.91 48.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.2 m -100.96 178.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 t -63.07 167.23 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 35' ' ' THR . 56.9 m -104.76 -1.55 26.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -119.63 -38.6 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.53 -7.92 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.8 mmm180 57.26 47.5 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -96.63 131.88 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.788 ' HA ' HG12 ' A' ' 33' ' ' VAL . 46.5 mt-30 -50.2 120.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.45 30.23 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 m -90.77 -61.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.05 48.2 2.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -174.77 158.49 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -64.06 152.94 38.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.51 -177.95 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.49 HG23 HD22 ' A' ' 56' ' ' LEU . 30.2 p -148.55 172.94 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.23 119.11 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 63' ' ' TYR . 15.3 ttp180 -69.74 -60.59 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -127.03 -61.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -130.33 -40.12 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -66.06 157.31 31.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.4 116.31 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 73.2 m-85 -115.72 155.28 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 56' ' ' LEU . 28.4 p -92.67 141.75 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.4 mm? -28.86 -47.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -54.93 -67.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 66.1 m -56.13 -44.52 79.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.74 -35.06 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.857 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 2.9 t -101.94 21.09 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -129.93 -27.76 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.38 -54.18 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 49' ' ' ARG . 28.3 m-85 -100.81 -44.34 5.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.857 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -81.17 59.73 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLY . 21.5 t -174.19 136.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -33.42 96.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' SER . 53.7 Cg_endo -69.78 143.49 50.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -77.89 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 93.8 p -156.12 175.34 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.22 -0.766 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -78.75 -51.72 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -107.21 108.55 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.02 -42.06 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -39.85 154.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -91.35 107.65 19.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.88 140.35 14.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.2 t -43.93 144.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 26' ' ' PRO . 16.3 m -97.83 -24.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.89 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 25.7 p -92.54 -13.23 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 73.53 49.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.63 161.35 51.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.37 66.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.484 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -119.46 108.82 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 p -94.73 -59.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m -127.79 147.18 50.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 80.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.02 167.25 26.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.14 -175.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.47 154.01 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -160.31 117.6 2.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.3 mpt_? 65.94 41.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 63.96 34.95 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -144.08 142.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.79 152.03 69.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.8 m95 -153.1 134.54 14.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.484 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -71.89 145.21 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -60.16 -9.43 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.0 mt-10 -112.36 -22.17 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 87.5 m -84.88 -33.66 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -76.15 48.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.0 m -98.77 174.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 12.7 t -59.69 167.88 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 8.3 m -106.59 -6.63 17.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -112.15 -33.89 6.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 30.6 p -121.51 -12.21 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 10.5 mmm180 60.96 46.5 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 24.0 mtmt -95.22 140.31 30.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.64 ' HA ' HG12 ' A' ' 33' ' ' VAL . 76.2 mt-30 -62.27 97.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 10.3 mt -74.37 -16.9 60.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -56.46 -29.42 61.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.88 33.82 5.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 18.0 pt20 -170.36 179.27 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 9.8 mtp-105 -83.36 157.14 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -166.83 179.39 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -168.1 134.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.45 134.06 33.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -84.22 -46.09 12.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -132.4 -64.06 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.58 -37.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.09 161.84 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.75 34.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 78.4 m-85 -129.86 113.07 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' LEU . 10.6 p -58.27 139.65 54.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' H ' HD22 ' A' ' 56' ' ' LEU . 4.1 mm? -34.69 -64.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -34.2 -52.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 15.2 m -72.51 -57.0 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -43.71 -27.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 97.3 m -75.74 -39.51 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 6.0 t0 -85.1 -54.5 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 61' ' ' ASP . 68.0 mt -32.77 -70.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -99.13 -69.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 60' ' ' CYS . . . -48.21 170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 p -135.81 138.07 42.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.27 -158.48 14.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 86.4 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -69.75 83.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -132.53 105.53 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.447 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -48.51 -60.47 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -45.81 -62.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.71 108.34 1.95 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -94.12 146.61 23.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -56.83 106.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -119.59 142.38 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.0 t -45.09 143.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.8 m -96.5 -24.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.5 tp-100 -60.62 -67.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -91.57 -12.92 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 28.0 mmmt 73.18 47.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -123.94 161.68 45.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.891 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.54 68.69 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.3 mt -120.4 110.55 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.7 p -97.23 -61.25 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.4 m -127.87 142.2 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.67 83.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.04 174.99 24.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.61 -175.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.51 152.4 45.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.2 t80 -159.0 116.7 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.582 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.9 mpt_? 65.97 43.55 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 62.07 34.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -144.22 142.87 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.527 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.3 Cg_endo -69.71 154.2 68.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.7 m95 -155.48 137.7 14.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -73.9 146.77 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -61.76 -8.08 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -114.48 -18.07 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.1 m -89.83 -32.3 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -76.45 48.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.906 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.7 m -99.23 -177.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.7 t -63.49 168.51 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 40.0 m -104.55 -7.03 20.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.27 -39.24 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.36 -4.52 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.8 mmt180 51.5 50.03 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -98.89 130.85 45.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.906 ' HA ' HG12 ' A' ' 33' ' ' VAL . 76.1 mt-30 -49.73 115.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 mt -99.24 28.51 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 p -80.89 -60.45 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.32 52.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -162.5 167.37 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -76.76 130.39 37.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -141.07 157.46 45.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.3 t -154.37 130.15 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.27 128.22 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -72.63 -50.84 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -134.1 -62.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.551 ' OD2' ' CE1' ' A' ' 52' ' ' PHE . 10.7 p-10 -133.63 -38.27 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CE1' ' OD2' ' A' ' 51' ' ' ASP . 5.6 m-85 -80.86 153.49 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.2 121.9 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 84.5 m-85 -122.37 144.39 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.495 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.3 p -86.64 141.41 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.2 mp -30.12 -50.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -49.45 -66.86 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 58.2 m -57.82 -47.01 83.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -47.41 -43.41 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.11 28.58 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -41.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.51 -54.43 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -89.69 -66.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 154.72 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -155.41 159.21 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.3 -120.16 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 144.22 53.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -76.74 136.56 39.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.6 t -48.16 137.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.45 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -93.11 85.93 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -122.28 143.33 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.32 99.01 1.04 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 54.0 p -64.85 141.89 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 74.9 m -34.68 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.17 139.85 13.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' LYS . 5.9 t -44.99 145.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 26' ' ' PRO . 25.0 m -97.39 -26.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -58.63 -65.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.1 p -93.0 -14.14 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.9 mmmt 74.46 47.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.86 161.57 45.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.21 68.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.9 mt -120.64 115.56 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.7 p -100.65 -57.66 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -129.44 151.38 50.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.19 82.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.08 171.03 24.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.441 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -145.63 -174.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 152.26 43.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.6 t80 -158.38 116.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.591 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER 66.4 42.91 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.67 35.24 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -144.85 143.58 21.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.76 154.74 67.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.3 m95 -156.17 136.95 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 14.4 m170 -73.49 146.53 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -62.05 -7.5 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -114.78 -17.27 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -89.91 -34.04 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -76.53 48.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.0 m -98.8 -177.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.507 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 6.1 m -105.14 -7.98 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.78 -37.68 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -116.34 -6.37 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.0 mmt85 53.47 49.17 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -97.76 129.35 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.89 ' HA ' HG12 ' A' ' 33' ' ' VAL . 24.3 mt-30 -48.29 113.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 46' ' ' PHE . 11.4 mt -96.28 29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -77.1 -48.4 17.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.69 65.3 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -170.37 161.63 8.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -66.54 135.07 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 1.8 p90 -164.35 145.42 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 t -144.17 143.67 31.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.57 144.74 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.093 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -89.16 -54.59 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -124.32 -63.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -132.17 -41.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -84.56 151.58 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.63 136.12 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.507 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 95.4 m-85 -128.16 114.05 16.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LEU . 11.6 p -55.31 140.46 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.5 mm? -33.85 -59.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 t-20 -37.35 -54.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 56.1 m -71.09 -49.83 40.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -49.39 -26.79 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.694 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 41.8 t -78.09 -39.99 39.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.3 t70 -82.35 -59.4 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' ASP . 92.5 mt -34.58 -72.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -94.2 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -47.45 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -81.47 161.47 23.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.88 85.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -9.71 26.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.0 p -84.74 173.09 10.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.8 t -54.74 154.52 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -49.14 -59.45 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.879 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -174.08 156.54 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.68 -95.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -45.53 138.76 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -73.51 109.54 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.95 139.68 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.0 t -43.82 143.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.6 m -97.3 -23.51 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.8 tp60 -61.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.36 -12.39 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 72.83 49.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.17 160.67 56.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.515 0.674 . . . . 0.0 110.869 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.16 67.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' A' ' 28' ' ' HIS . 10.9 mt -120.64 112.75 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 p -99.24 -56.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -129.7 148.78 51.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.61 82.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.64 171.05 25.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.94 -175.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.16 154.47 44.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -161.47 118.6 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.595 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 mpt_? 65.47 42.43 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.57 35.21 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -144.58 142.49 19.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.556 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.79 154.83 67.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.1 m95 -155.58 135.42 12.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.1 m170 -72.2 148.27 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -63.96 -5.38 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -119.12 -10.93 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 70.6 m -96.4 -29.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -80.03 46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 40' ' ' GLN . 27.6 m -95.3 173.13 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HA ' HD11 ' A' ' 41' ' ' LEU . 18.5 t -60.5 166.14 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.506 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 23.4 m -105.02 -1.98 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.41 -36.61 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 25.7 p -118.94 -13.03 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.5 mmt180 63.46 42.93 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 36.9 mtmt -92.2 136.41 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.739 ' HA ' HG12 ' A' ' 33' ' ' VAL . 63.9 mt-30 -55.49 113.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 34' ' ' CYS . 12.4 mt -98.03 28.08 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.8 p -76.12 -59.76 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.0 66.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -172.33 167.11 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -72.18 133.06 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -154.71 150.52 27.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 t -150.69 134.8 16.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.16 140.7 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -85.28 -54.45 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -124.44 -64.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.34 -39.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.02 157.31 19.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.97 136.41 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 97.5 m-85 -132.2 124.63 29.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p -64.22 139.59 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.6 mm? -34.13 -51.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -45.72 -55.92 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 47.8 m -67.68 -43.99 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -50.18 -39.51 44.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.18 24.48 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -131.54 -51.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.13 -59.69 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -80.92 -55.39 4.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 108.19 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -104.58 145.75 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.35 114.62 6.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -85.67 45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -127.74 164.32 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.453 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -83.0 117.01 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -79.93 -47.21 15.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 138.46 14.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -103.74 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -62.77 98.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -115.24 140.92 16.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.7 t -44.21 143.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.6 m -96.25 -24.75 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 3.9 tp-100 -60.55 -68.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.9 p -90.57 -13.7 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.6 mmmt 74.21 46.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -122.92 161.68 43.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.61 67.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.0 mt -118.73 114.84 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 p -100.94 -65.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 m -122.83 142.75 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.84 83.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.76 170.77 25.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.71 -179.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.14 154.74 50.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 9.4 t80 -161.1 115.75 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 65.21 45.36 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 60.51 35.01 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -144.31 140.83 17.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.2 Cg_endo -69.75 152.26 69.3 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 73.3 m95 -152.51 135.23 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.7 m170 -72.12 145.91 47.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -60.79 -8.78 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -113.6 -19.69 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 97.1 m -88.73 -31.5 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -76.51 48.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.926 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.4 m -97.09 176.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 t -59.87 165.43 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 35' ' ' THR . 90.7 m -104.9 -1.29 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.27 -35.67 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.475 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.6 p -119.1 -11.55 9.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.3 mmm180 61.36 46.56 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 27.0 mtmt -95.61 133.21 39.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.926 ' HA ' HG12 ' A' ' 33' ' ' VAL . 67.8 mt-30 -55.9 97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 17.7 mt -74.11 -10.91 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 p -57.53 -55.67 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 45.13 3.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 7.8 pt20 -175.29 -176.88 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -98.09 151.42 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -155.57 -175.33 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -170.26 133.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.5 139.09 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -85.97 -55.19 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -128.78 -61.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -131.52 -38.12 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -92.17 162.49 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.05 146.97 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -146.12 123.03 11.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.6 p -65.37 137.08 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 9.2 mp -33.36 -50.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.88 -50.59 26.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 14.9 m -71.83 -44.94 63.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -48.14 -43.17 31.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.749 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 7.2 m -91.63 27.05 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -132.86 -48.74 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.63 -57.72 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -88.58 -57.06 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.749 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -67.33 113.45 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -116.58 43.91 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.06 -144.12 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 179.06 3.99 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 p -85.03 -44.18 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 t -85.23 90.62 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -172.97 150.4 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.836 0.351 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -93.58 -48.68 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.67 44.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -127.2 114.05 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -97.25 92.48 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -109.67 141.82 16.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.461 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -45.21 144.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.9 m -97.7 -25.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.69 -66.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -93.01 -11.48 33.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 29.0 mmmt 71.25 50.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.1 mptt -126.57 161.46 52.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 150.6 68.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.533 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.0 mt -121.17 112.24 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -96.4 -58.37 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 m -130.93 147.22 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.66 80.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.92 167.97 25.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.6 m -140.42 -175.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.164 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 143.87 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.6 t80 -150.2 115.92 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.8 46.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 59.23 34.97 23.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.22 142.94 20.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.533 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.72 153.51 69.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 59.8 m95 -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.533 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.1 m170 -74.66 144.36 43.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.48 -10.04 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 33' ' ' VAL . 6.6 mt-10 -111.4 -21.65 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 80.6 m -85.6 -33.97 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -76.81 47.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 m -98.73 174.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.86 165.6 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 35' ' ' THR . 80.4 m -103.93 -1.18 28.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.17 -37.74 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.8 p -116.85 -11.63 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 26.0 mmt-85 61.21 46.9 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.2 mtmt -96.71 132.06 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.732 ' HA ' HG12 ' A' ' 33' ' ' VAL . 77.9 mt-30 -52.38 113.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' CD1' ' HB1' ' A' ' 53' ' ' ALA . 19.3 mt -94.5 33.21 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -92.01 85.92 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -84.24 179.47 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -95.56 120.34 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' THR . 17.1 p90 -102.1 -26.71 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 47' ' ' THR . 9.9 t 32.84 54.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.28 132.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -64.07 -53.57 47.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -134.35 -62.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -132.66 -34.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 22.0 m-85 -85.52 134.81 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -84.38 111.9 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 52' ' ' PHE . 87.4 m-85 -111.27 118.67 36.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.9 p -61.71 137.39 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' CYS . 94.7 mt -30.86 -56.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -41.9 -60.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.55 -43.63 93.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -49.36 -39.8 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.82 26.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -131.82 -47.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.73 -54.83 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -87.0 -58.94 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.63 125.88 29.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.6 t -151.47 147.71 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.42 73.37 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.43 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 0.24 5.97 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 p -86.34 90.19 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 p -128.4 135.3 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -129.57 135.63 48.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -124.67 119.35 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.32 79.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -151.7 174.75 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -130.17 93.96 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -111.24 140.33 16.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.9 t -44.07 144.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.2 m -97.68 -24.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.73 -67.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.72 -12.32 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 21.7 mmmt 72.5 50.14 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.26 160.54 57.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.685 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.44 68.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.499 HG12 ' CD2' ' A' ' 28' ' ' HIS . 11.7 mt -121.4 106.64 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 p -97.13 -36.75 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -149.89 147.8 28.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.55 75.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.44 174.03 23.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 m -147.48 -175.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.87 145.96 38.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -155.17 116.58 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.35 46.17 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.11 35.01 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -145.36 141.47 17.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.543 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.75 156.85 62.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.2 m95 -157.24 136.29 11.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.499 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.8 m170 -73.32 144.43 46.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -60.04 -8.81 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -113.84 -16.98 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.4 m -90.45 -33.44 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.79 49.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.91 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.9 m -98.36 -178.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.496 ' HA ' HD11 ' A' ' 41' ' ' LEU . 8.6 t -65.33 168.61 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 32.8 m -105.12 -5.11 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.32 -35.68 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -120.98 3.71 10.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.0 mmt85 43.47 49.71 6.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -98.09 126.83 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.91 ' HA ' HG12 ' A' ' 33' ' ' VAL . 58.5 mt-30 -43.96 118.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 34' ' ' CYS . 23.6 mt -105.69 30.84 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 m -95.95 -53.98 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.5 36.38 3.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -166.57 171.83 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 156.47 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -160.96 127.84 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.3 t -127.08 129.88 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.86 140.23 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' HG2' ' CZ ' ' A' ' 63' ' ' TYR . 3.6 tpm_? -86.33 -50.5 6.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -134.87 -67.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.46 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.61 164.97 14.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 142.22 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 98.7 m-85 -134.29 105.4 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' HD21 ' A' ' 41' ' ' LEU . 14.5 p -39.62 144.05 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 36.4 mt -32.66 -62.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -39.3 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 23.3 m -51.84 -51.14 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -45.97 -49.35 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.56 28.43 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.66 -53.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.18 -57.16 12.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.401 ' CZ ' ' HG2' ' A' ' 49' ' ' ARG . 36.3 m-85 -82.96 -52.72 6.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.09 148.7 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -93.62 42.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.68 -136.29 27.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 120.44 7.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.1 p -89.83 90.68 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 t -155.0 125.42 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.475 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -170.25 155.73 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -51.19 168.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.7 168.5 19.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -87.13 92.02 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -122.77 97.28 5.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -114.98 141.25 16.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.9 t -44.69 144.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.0 m -97.06 -25.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.16 -67.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.91 -11.73 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 71.49 49.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.7 mptt -126.22 161.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.72 68.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.252 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.7 mt -120.79 115.1 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -102.47 -57.17 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -128.44 144.16 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.12 84.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.07 169.19 26.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.4 m -143.61 -176.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.384 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 148.83 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.5 t80 -155.15 114.75 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.587 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.5 47.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 58.97 35.69 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -145.1 142.33 18.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.77 154.64 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.9 m95 -156.02 137.93 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.528 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.3 m170 -74.3 148.4 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -64.25 -5.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -119.38 -9.46 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 68.3 m -97.6 -32.99 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.53 46.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.438 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 22.3 m -94.48 178.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -63.19 167.1 5.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.577 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 73.5 m -104.04 -2.93 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -118.85 -39.94 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.36 -6.86 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 17.1 mmt180 55.09 48.17 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -95.57 139.22 32.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HA ' HG12 ' A' ' 33' ' ' VAL . 46.3 mt-30 -59.54 109.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 mt -91.73 9.63 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.1 m -77.3 83.29 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.75 -48.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -82.08 158.15 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -74.26 141.68 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -141.44 168.93 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 47' ' ' THR . 3.5 t -149.7 114.19 5.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.94 147.1 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -92.63 -51.41 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -131.51 -63.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -129.92 -40.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.68 170.12 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.87 143.19 44.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 79.3 m-85 -134.81 119.64 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.2 p -54.56 141.14 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.3 mp -31.3 -52.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -45.98 -66.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 95.9 m -59.3 -48.57 81.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.02 -44.9 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.829 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.9 m -88.32 28.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -134.95 -45.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.28 -59.83 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.25 -63.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.829 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -62.26 141.04 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.3 m -156.78 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.5 -169.76 29.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.61 34.4 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.603 2.202 . . . . 0.0 112.339 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -101.83 90.29 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.7 m -88.8 42.14 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -76.9 -48.39 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -108.6 79.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.21 -142.22 3.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -128.99 144.62 51.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -125.01 94.01 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -110.92 140.95 16.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.9 t -44.31 144.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.6 m -97.65 -24.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.3 tp-100 -60.79 -66.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 p -91.57 -14.44 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 26.4 mmmt 74.64 48.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.08 161.18 50.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.554 0.692 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.14 69.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.44 113.64 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.3 p -100.49 -56.18 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m -129.65 147.43 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 29' ' ' LYS . . . 62.39 82.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.68 170.09 25.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.09 -175.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.31 144.46 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -150.91 116.84 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.581 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER 66.83 47.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 57.65 36.32 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -145.79 143.3 19.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.3 Cg_endo -69.77 153.83 68.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.4 m95 -155.71 137.65 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.4 m170 -73.87 148.94 41.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' NZ ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 ttmt -64.2 -5.67 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -118.03 -14.45 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 67.5 m -91.86 -34.31 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.86 49.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.922 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.2 m -100.67 175.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -61.91 165.88 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.56 ' O ' HG22 ' A' ' 35' ' ' THR . 38.4 m -105.8 -1.22 24.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.9 -33.41 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.9 -14.99 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.2 mmm180 66.39 45.64 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -92.2 129.24 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.922 ' HA ' HG12 ' A' ' 33' ' ' VAL . 79.0 mt-30 -55.07 99.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.69 36.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 p -89.87 -41.39 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.39 -38.86 6.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 17.0 pm0 -95.39 153.39 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -59.69 175.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -157.67 144.62 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' THR . 9.7 t -136.75 115.31 11.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.62 144.01 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.1 tmt_? -90.12 -59.63 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -119.32 -68.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -126.37 -41.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -87.72 160.34 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . -91.68 165.66 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.463 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 97.9 m-85 -160.02 130.51 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 21.9 p -67.56 137.92 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 98.1 mt -33.49 -47.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -50.96 -51.32 53.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 33.6 m -73.46 -46.54 47.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -50.12 -36.56 30.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.3 t -97.22 26.53 4.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.98 -44.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.52 -69.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 49' ' ' ARG . 71.8 m-85 -73.56 -66.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.31 89.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -95.75 129.39 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.13 -156.65 3.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.64 4.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.1 m -131.36 113.31 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t -83.61 155.23 23.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.898 0.38 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.72 139.71 12.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.485 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.6 t -43.56 144.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.2 m -96.71 -25.38 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.0 tp-100 -60.17 -68.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -90.52 -13.4 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.8 mmmt 73.28 48.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -124.84 161.84 46.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 148.27 64.47 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.2 mt -117.35 109.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -94.87 -57.67 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -129.24 154.22 47.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.43 81.84 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 168.06 25.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.08 -175.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.39 153.73 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -158.93 114.53 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.589 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER 65.79 46.65 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.63 35.63 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -144.4 141.26 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.606 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.79 150.02 67.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 75.7 m95 -151.01 133.88 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.478 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -71.19 147.13 48.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.0 -6.28 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -116.77 -16.91 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.2 m -90.71 -33.09 15.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 3.5 t80 -76.07 48.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.897 HG12 ' HA ' ' A' ' 40' ' ' GLN . 34.0 m -97.79 -178.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 10.6 t -64.04 167.56 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 35' ' ' THR . 58.6 m -104.72 -4.0 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -118.21 -37.62 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.5 p -117.11 -3.62 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.405 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 33.8 mmm-85 51.26 49.64 20.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -95.6 131.57 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.897 ' HA ' HG12 ' A' ' 33' ' ' VAL . 57.9 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.6 p . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.3 mm? -31.7 -55.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -42.82 -66.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 61.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.924 0.393 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.69 140.96 16.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 t -43.52 144.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.2 m -98.28 -24.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.2 tp-100 -61.01 -66.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.5 p -93.04 -11.43 33.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.7 mmmt 71.25 49.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 mptt -126.24 161.03 54.48 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.53 65.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.276 . . . . 0.0 112.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.2 mt -118.11 110.35 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.5 p -94.55 -58.92 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -131.42 148.51 52.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.38 80.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.29 173.15 23.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.73 -175.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.58 156.23 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.9 t80 -163.06 117.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 6.0 mpt_? 65.62 41.55 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.1 34.55 11.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.74 143.44 21.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.699 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 26' ' ' PRO . 59.2 m95 -157.2 137.82 13.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -73.53 145.61 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -61.83 -7.51 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.53 -17.31 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 75.5 m -90.18 -34.62 15.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -75.97 49.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.856 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.8 m -99.97 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.8 t -60.1 168.1 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 35' ' ' THR . 27.3 m -105.64 -6.69 19.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -114.75 -37.32 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.56 -7.72 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 55.38 49.52 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -100.42 130.13 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.856 ' HA ' HG12 ' A' ' 33' ' ' VAL . 72.7 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 5.7 mp -33.52 -51.16 0.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -47.12 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 66.2 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.916 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.27 138.6 13.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.6 t -42.9 143.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 26' ' ' PRO . 20.5 m -97.07 -24.14 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.599 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -61.14 -67.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.05 -11.73 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 72.04 49.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 3.7 mptt -126.15 160.15 58.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.42 65.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.8 mt -117.64 104.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 p -93.28 -37.68 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 18' ' ' GLY . 97.9 m -146.97 163.17 37.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.587 ' N ' HG22 ' A' ' 17' ' ' THR . . . 47.34 79.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 173.23 23.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.98 -175.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.35 147.9 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.4 t80 -155.99 117.38 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.07 45.37 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 59.55 35.51 22.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -145.28 141.6 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.79 153.35 68.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.6 m95 -153.97 135.15 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.468 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -72.63 143.86 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -57.94 -11.19 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 33' ' ' VAL . 10.8 mt-10 -110.42 -24.21 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 99.1 m -83.78 -30.4 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -78.64 44.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.7 m -93.63 179.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' CB ' ' H ' ' A' ' 39' ' ' LYS . 9.5 t -65.57 167.98 8.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' THR . 47.7 m -105.51 -4.7 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 -34.4 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -120.45 -7.75 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 mmt180 55.97 50.07 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 35.1 mtpt -98.18 131.99 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.687 ' HA ' HG12 ' A' ' 33' ' ' VAL . 59.0 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.848 0.356 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 41.1 mt -32.78 -55.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -44.3 -64.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 41.3 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.889 0.375 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -119.91 139.24 13.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -43.75 145.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 26' ' ' PRO . 18.5 m -98.25 -25.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.609 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.71 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -94.26 -11.25 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.26 49.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.12 160.74 55.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.05 66.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.496 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.5 mt -118.8 109.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.1 p -95.32 -55.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -131.04 150.01 52.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.82 81.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.15 170.23 25.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.71 -175.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 149.5 40.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -155.9 117.23 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.17 43.91 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.23 35.28 18.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.67 142.56 19.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.563 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.77 151.81 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.609 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.5 m95 -153.35 134.82 14.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.3 m170 -72.48 144.64 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -58.43 -10.89 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 33' ' ' VAL . 17.4 mt-10 -110.96 -23.13 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 94.7 m -84.63 -30.37 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.25 44.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.673 HG12 ' HA ' ' A' ' 40' ' ' GLN . 31.0 m -93.82 179.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.6 t -62.74 168.52 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.468 ' O ' HG22 ' A' ' 35' ' ' THR . 26.2 m -105.16 -6.62 19.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.01 -37.76 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.81 -4.32 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 29.3 mmt-85 51.62 49.25 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -98.99 137.57 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.673 ' HA ' HG12 ' A' ' 33' ' ' VAL . 68.6 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.2 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.1 mt -31.91 -56.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -41.75 -61.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 50.4 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.953 0.406 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.83 141.55 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.7 t -45.29 144.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 26' ' ' PRO . 18.3 m -97.57 -25.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -60.03 -66.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.0 p -93.13 -11.47 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.6 mmmt 71.54 49.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.06 161.48 51.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.53 66.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.0 mt -118.76 111.64 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.35 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 m -130.69 151.56 51.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.4 78.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.55 168.43 25.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 -175.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 155.4 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.1 t80 -162.48 117.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.8 mpt_? 65.74 42.62 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 62.43 35.15 15.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -144.8 142.33 18.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.551 0.691 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.513 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 153.16 69.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.591 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.5 m95 -153.96 134.02 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -70.99 147.65 48.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -63.65 -5.57 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -118.45 -11.12 10.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.1 m -96.21 -31.93 12.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -77.6 46.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.8 m -96.97 -176.79 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 8.0 t -68.03 169.58 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 m -107.16 -8.53 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -113.3 -34.18 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.5 p -121.75 -1.8 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 48.46 49.64 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -94.88 137.54 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.798 ' HA ' HG12 ' A' ' 33' ' ' VAL . 65.0 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 17.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 3.4 mm? -32.63 -57.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -41.85 -68.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 21.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -115.66 140.89 16.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.6 t -44.16 143.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.5 m -97.04 -24.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.5 tp60 -61.17 -67.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -91.39 -12.05 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.19 49.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.21 160.96 54.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.37 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.1 mt -122.06 114.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -102.78 -55.9 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -128.52 145.54 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.74 79.25 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.1 167.3 25.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.39 -175.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.76 157.43 45.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.6 t80 -163.39 115.33 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.587 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.4 mpt_? 65.7 44.11 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.11 34.91 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -144.51 142.67 19.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.68 154.28 68.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 65.9 m95 -155.1 137.68 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.489 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.6 m170 -74.0 148.36 42.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.52 -6.55 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.87 -16.48 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 95.9 m -91.25 -32.54 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.23 47.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.838 HG12 ' HA ' ' A' ' 40' ' ' GLN . 25.5 m -98.31 -179.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 13.2 t -64.31 167.32 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 35' ' ' THR . 10.5 m -104.32 -5.8 21.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -114.18 -41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -112.68 -8.28 13.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 55.95 48.37 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -100.36 131.38 46.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.838 ' HA ' HG12 ' A' ' 33' ' ' VAL . 63.2 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.895 0.379 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' CYS . 90.0 mt -32.47 -52.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.38 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 57.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.92 0.391 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.62 140.22 15.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LYS . 10.2 t -43.6 142.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 26' ' ' PRO . 17.8 m -97.04 -23.56 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.3 tp60 -61.69 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -92.02 -13.73 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 20.7 mmmt 74.18 49.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.0 mptt -126.02 160.9 54.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.4 mt -121.39 110.76 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -97.31 -63.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -123.35 136.14 54.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.71 82.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.71 163.21 27.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.83 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.7 t80 -162.46 115.04 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.586 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.04 43.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 62.18 34.98 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -144.85 142.21 18.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.561 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.2 Cg_endo -69.71 154.81 67.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.4 m95 -155.41 136.46 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -73.06 145.5 46.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -60.18 -9.2 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.7 mt-10 -113.03 -21.29 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.4 m -86.72 -31.81 20.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -76.88 48.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.5 m -97.52 -179.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.0 t -65.36 168.42 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 35' ' ' THR . 25.0 m -104.99 -5.66 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.39 -33.33 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.058 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.7 p -122.57 3.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 51.0 mmt-85 43.7 50.94 6.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -97.96 129.39 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.895 ' HA ' HG12 ' A' ' 33' ' ' VAL . 55.0 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.6 mp -33.19 -51.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.24 -70.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 96.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.914 0.388 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -118.68 141.25 15.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.8 t -45.24 143.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.0 m -96.18 -24.75 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.81 -66.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.8 p -92.65 -13.98 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.7 mmmt 74.69 46.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.85 161.6 45.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.6 69.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -121.06 113.88 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 p -99.51 -61.06 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -127.51 145.81 50.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.63 82.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.88 174.18 23.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.6 -175.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.943 0.401 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 146.53 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -153.07 116.99 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.586 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 66.32 46.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.59 35.92 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -145.24 142.88 18.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.7 m95 -154.73 137.76 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.5 m170 -73.87 148.66 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -63.97 -6.11 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -117.16 -15.63 10.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.7 m -91.12 -34.41 15.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -75.88 50.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.926 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.3 m -102.46 176.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 17.2 t -61.79 166.17 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 35' ' ' THR . 22.8 m -104.56 -2.14 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -116.22 -38.61 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.0 p -115.85 -12.43 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 23.7 mmm180 63.06 42.78 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 33.9 mtmt -90.65 131.42 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.926 ' HA ' HG12 ' A' ' 33' ' ' VAL . 77.2 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 24.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 16.8 mt -33.62 -57.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -44.58 -65.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 20.0 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.6 140.57 13.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -44.1 144.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.6 m -97.17 -25.66 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.47 -66.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.38 -11.68 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.42 50.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.6 mptt -126.28 161.42 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.51 68.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.4 mt -121.91 113.87 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -99.3 -59.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -128.63 143.51 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.05 163.52 26.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 27' ' ' TRP . 4.3 m -137.1 -175.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.02 146.42 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -153.28 116.45 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 66.24 46.49 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 58.82 35.61 24.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -144.91 142.27 18.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.536 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.1 Cg_endo -69.78 153.1 69.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.8 m95 -154.31 138.17 16.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.9 m170 -74.85 145.96 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.05 -8.05 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.14 -20.06 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 96.3 m -88.04 -32.86 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -75.78 49.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.82 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.4 m -100.35 175.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.2 t -57.92 168.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' THR . 55.0 m -106.68 -2.6 21.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.22 -34.6 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 p -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.6 mmm180 57.12 49.91 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -98.32 129.78 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.82 ' HA ' HG12 ' A' ' 33' ' ' VAL . 71.7 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.435 ' N ' ' HG ' ' A' ' 34' ' ' CYS . 17.1 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.66 -58.67 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -44.21 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -109.14 141.09 15.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.0 t -44.14 143.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.5 m -96.93 -24.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -60.26 -66.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -92.34 -12.03 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.2 mmmt 72.12 49.99 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.38 161.52 51.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.34 68.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.6 113.95 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -98.98 -59.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 m -128.35 144.31 51.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.39 81.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.14 167.9 25.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.5 m -141.05 -175.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.7 149.77 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.9 t80 -156.7 116.62 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.5 mpt_? 65.97 45.38 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 60.17 35.61 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -144.76 141.98 18.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.3 Cg_endo -69.76 155.33 66.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 64.0 m95 -156.42 138.11 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -74.65 145.98 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -61.27 -8.28 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -113.99 -18.09 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.0 m -89.21 -33.97 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -76.65 48.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.889 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.9 m -98.86 173.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.48 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 13.9 t -59.08 167.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.539 ' O ' HG22 ' A' ' 35' ' ' THR . 45.5 m -105.74 -3.09 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.38 -35.58 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.5 p -119.45 -10.56 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 37.4 mmt-85 60.32 46.46 10.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.0 mtmt -95.56 132.25 40.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.889 ' HA ' HG12 ' A' ' 33' ' ' VAL . 68.6 mt-30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 34' ' ' CYS . 18.3 p . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.7 mm? -31.83 -59.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -40.4 -64.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 33.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.959 0.409 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.97 138.87 14.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.4 t -42.37 143.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.8 m -97.2 -24.22 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.5 tp60 -61.36 -67.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -91.57 -11.97 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.09 49.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.5 mptt -126.07 161.01 54.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.682 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 150.23 67.42 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.6 mt -120.69 108.59 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -94.62 -51.84 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -134.21 154.25 51.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.95 79.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.31 165.8 26.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.7 -174.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.51 148.66 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.588 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.15 46.55 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 58.84 36.11 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.99 141.34 17.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.73 151.99 69.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 74.2 m95 -152.86 135.07 14.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.473 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.0 m170 -72.64 144.92 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -59.8 -9.7 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 33' ' ' VAL . 9.3 mt-10 -112.28 -22.18 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.8 m -85.69 -32.5 21.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.91 48.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.2 m -100.96 178.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 11.7 t -63.07 167.23 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 35' ' ' THR . 56.9 m -104.76 -1.55 26.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -119.63 -38.6 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.53 -7.92 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.8 mmm180 57.26 47.5 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -96.63 131.88 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.788 ' HA ' HG12 ' A' ' 33' ' ' VAL . 46.5 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 56' ' ' LEU . 28.4 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.4 mm? -28.86 -47.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -54.93 -67.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 66.1 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.88 140.35 14.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.2 t -43.93 144.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 26' ' ' PRO . 16.3 m -97.83 -24.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.2 tp60 -60.89 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 25.7 p -92.54 -13.23 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 73.53 49.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.63 161.35 51.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.37 66.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.484 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -119.46 108.82 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 p -94.73 -59.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m -127.79 147.18 50.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 80.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.02 167.25 26.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.14 -175.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.47 154.01 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -160.31 117.6 2.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.3 mpt_? 65.94 41.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 63.96 34.95 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -144.08 142.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.79 152.03 69.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.8 m95 -153.1 134.54 14.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.484 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -71.89 145.21 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -60.16 -9.43 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.0 mt-10 -112.36 -22.17 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 87.5 m -84.88 -33.66 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -76.15 48.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.0 m -98.77 174.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 12.7 t -59.69 167.88 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.3 m -106.59 -6.63 17.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -112.15 -33.89 6.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 30.6 p -121.51 -12.21 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 10.5 mmm180 60.96 46.5 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 24.0 mtmt -95.22 140.31 30.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.64 ' HA ' HG12 ' A' ' 33' ' ' VAL . 76.2 mt-30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' LEU . 10.6 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' H ' HD22 ' A' ' 56' ' ' LEU . 4.1 mm? -34.69 -64.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -34.2 -52.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 15.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.921 0.391 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -119.59 142.38 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.0 t -45.09 143.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.8 m -96.5 -24.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.2 tp60 -60.62 -67.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -91.57 -12.92 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 28.0 mmmt 73.18 47.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -123.94 161.68 45.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.891 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.54 68.69 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.3 mt -120.4 110.55 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.7 p -97.23 -61.25 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.4 m -127.87 142.2 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.67 83.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.04 174.99 24.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.61 -175.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.51 152.4 45.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.2 t80 -159.0 116.7 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.582 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.9 mpt_? 65.97 43.55 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 62.07 34.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -144.22 142.87 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.527 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.3 Cg_endo -69.71 154.2 68.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.7 m95 -155.48 137.7 14.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -73.9 146.77 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -61.76 -8.08 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -114.48 -18.07 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.1 m -89.83 -32.3 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -76.45 48.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.906 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.7 m -99.23 -177.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.7 t -63.49 168.51 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 35' ' ' THR . 40.0 m -104.55 -7.03 20.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.27 -39.24 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.36 -4.52 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.8 mmt180 51.5 50.03 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -98.89 130.85 45.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.906 ' HA ' HG12 ' A' ' 33' ' ' VAL . 76.1 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.495 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.3 p . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.2 mp -30.12 -50.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -49.45 -66.86 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 58.2 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.17 139.85 13.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' LYS . 5.9 t -44.99 145.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 26' ' ' PRO . 25.0 m -97.39 -26.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -58.63 -65.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.1 p -93.0 -14.14 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.9 mmmt 74.46 47.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.86 161.57 45.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.21 68.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.9 mt -120.64 115.56 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.7 p -100.65 -57.66 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -129.44 151.38 50.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.19 82.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.08 171.03 24.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.441 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -145.63 -174.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 152.26 43.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.6 t80 -158.38 116.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.591 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER 66.4 42.91 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.67 35.24 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -144.85 143.58 21.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.76 154.74 67.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.3 m95 -156.17 136.95 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 14.4 m170 -73.49 146.53 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -62.05 -7.5 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -114.78 -17.27 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -89.91 -34.04 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -76.53 48.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.0 m -98.8 -177.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.419 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 9.9 t -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.1 m -105.14 -7.98 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.78 -37.68 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -116.34 -6.37 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.0 mmt85 53.47 49.17 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -97.76 129.35 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.89 ' HA ' HG12 ' A' ' 33' ' ' VAL . 67.9 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LEU . 11.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.5 mm? -33.85 -59.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 t-20 -37.35 -54.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.95 139.68 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.0 t -43.82 143.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.6 m -97.3 -23.51 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.8 tp60 -61.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.36 -12.39 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 72.83 49.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.17 160.67 56.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.515 0.674 . . . . 0.0 110.869 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.16 67.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' A' ' 28' ' ' HIS . 10.9 mt -120.64 112.75 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 p -99.24 -56.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -129.7 148.78 51.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.61 82.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.64 171.05 25.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.94 -175.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.16 154.47 44.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -161.47 118.6 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.595 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 mpt_? 65.47 42.43 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.57 35.21 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -144.58 142.49 19.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.556 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.79 154.83 67.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.1 m95 -155.58 135.42 12.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.1 m170 -72.2 148.27 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -63.96 -5.38 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -119.12 -10.93 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 70.6 m -96.4 -29.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -80.03 46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 40' ' ' GLN . 27.6 m -95.3 173.13 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 18.5 t -60.5 166.14 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 35' ' ' THR . 23.4 m -105.02 -1.98 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.41 -36.61 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 25.7 p -118.94 -13.03 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.5 mmt180 63.46 42.93 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 36.9 mtmt -92.2 136.41 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.739 ' HA ' HG12 ' A' ' 33' ' ' VAL . 63.9 mt-30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.6 mm? -34.13 -51.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -45.72 -55.92 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 47.8 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.955 0.407 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -115.24 140.92 16.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.7 t -44.21 143.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.6 m -96.25 -24.75 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 3.9 tp-100 -60.55 -68.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.9 p -90.57 -13.7 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.6 mmmt 74.21 46.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -122.92 161.68 43.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.61 67.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.0 mt -118.73 114.84 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 p -100.94 -65.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 m -122.83 142.75 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.84 83.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.76 170.77 25.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.71 -179.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.14 154.74 50.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 9.4 t80 -161.1 115.75 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 65.21 45.36 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 60.51 35.01 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -144.31 140.83 17.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.2 Cg_endo -69.75 152.26 69.3 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 73.3 m95 -152.51 135.23 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.7 m170 -72.12 145.91 47.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -60.79 -8.78 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -113.6 -19.69 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 97.1 m -88.73 -31.5 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -76.51 48.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.926 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.4 m -97.09 176.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 14.8 t -59.87 165.43 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 35' ' ' THR . 90.7 m -104.9 -1.29 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.27 -35.67 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.475 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.6 p -119.1 -11.55 9.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.421 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.3 mmm180 61.36 46.56 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 27.0 mtmt -95.61 133.21 39.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.926 ' HA ' HG12 ' A' ' 33' ' ' VAL . 67.8 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.6 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 9.2 mp -33.36 -50.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.88 -50.59 26.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 14.9 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -109.67 141.82 16.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.461 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -45.21 144.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.9 m -97.7 -25.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.69 -66.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -93.01 -11.48 33.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 29.0 mmmt 71.25 50.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.1 mptt -126.57 161.46 52.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 150.6 68.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.533 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.0 mt -121.17 112.24 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -96.4 -58.37 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 m -130.93 147.22 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.66 80.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.92 167.97 25.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.6 m -140.42 -175.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.164 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 143.87 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.6 t80 -150.2 115.92 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.8 46.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 59.23 34.97 23.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.22 142.94 20.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.533 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.72 153.51 69.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 59.8 m95 -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.533 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.1 m170 -74.66 144.36 43.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.48 -10.04 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 33' ' ' VAL . 6.6 mt-10 -111.4 -21.65 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 80.6 m -85.6 -33.97 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -76.81 47.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 m -98.73 174.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.408 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 20.3 t -61.86 165.6 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 35' ' ' THR . 80.4 m -103.93 -1.18 28.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.17 -37.74 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.8 p -116.85 -11.63 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 26.0 mmt-85 61.21 46.9 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.2 mtmt -96.71 132.06 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.732 ' HA ' HG12 ' A' ' 33' ' ' VAL . 77.9 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.9 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' CYS . 94.7 mt -30.86 -56.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -41.9 -60.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -111.24 140.33 16.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.9 t -44.07 144.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.2 m -97.68 -24.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.1 tp60 -60.73 -67.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.72 -12.32 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 21.7 mmmt 72.5 50.14 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.26 160.54 57.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.685 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.44 68.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.499 HG12 ' CD2' ' A' ' 28' ' ' HIS . 11.7 mt -121.4 106.64 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 p -97.13 -36.75 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -149.89 147.8 28.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.55 75.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.44 174.03 23.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 m -147.48 -175.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.87 145.96 38.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -155.17 116.58 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.35 46.17 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.11 35.01 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -145.36 141.47 17.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.543 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.75 156.85 62.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.2 m95 -157.24 136.29 11.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.499 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.8 m170 -73.32 144.43 46.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -60.04 -8.81 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -113.84 -16.98 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.4 m -90.45 -33.44 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.79 49.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.91 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.9 m -98.36 -178.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 8.6 t -65.33 168.61 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 35' ' ' THR . 32.8 m -105.12 -5.11 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.32 -35.68 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -120.98 3.71 10.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.0 mmt85 43.47 49.71 6.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -98.09 126.83 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.91 ' HA ' HG12 ' A' ' 33' ' ' VAL . 58.5 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.511 ' N ' ' HG ' ' A' ' 34' ' ' CYS . 14.5 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 36.4 mt -32.66 -62.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -39.3 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 23.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -114.98 141.25 16.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.9 t -44.69 144.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.0 m -97.06 -25.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.16 -67.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.91 -11.73 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 71.49 49.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.7 mptt -126.22 161.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.72 68.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.252 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.7 mt -120.79 115.1 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -102.47 -57.17 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -128.44 144.16 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.12 84.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.07 169.19 26.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.4 m -143.61 -176.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.384 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 148.83 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.5 t80 -155.15 114.75 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.587 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.5 47.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 58.97 35.69 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -145.1 142.33 18.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.77 154.64 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.9 m95 -156.02 137.93 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.528 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.3 m170 -74.3 148.4 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -64.25 -5.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -119.38 -9.46 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 68.3 m -97.6 -32.99 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.53 46.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.438 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 22.3 m -94.48 178.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 12.1 t -63.19 167.1 5.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.562 ' O ' HG22 ' A' ' 35' ' ' THR . 73.5 m -104.04 -2.93 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -118.85 -39.94 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.36 -6.86 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 17.1 mmt180 55.09 48.17 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -95.57 139.22 32.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HA ' HG12 ' A' ' 33' ' ' VAL . 46.3 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.2 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.3 mp -31.3 -52.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -45.98 -66.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 95.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.915 0.388 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -110.92 140.95 16.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.9 t -44.31 144.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.6 m -97.65 -24.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.3 tp-100 -60.79 -66.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 p -91.57 -14.44 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 26.4 mmmt 74.64 48.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.08 161.18 50.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.554 0.692 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.14 69.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.44 113.64 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.3 p -100.49 -56.18 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m -129.65 147.43 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 29' ' ' LYS . . . 62.39 82.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.68 170.09 25.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.09 -175.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.31 144.46 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -150.91 116.84 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.581 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER 66.83 47.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 57.65 36.32 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -145.79 143.3 19.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.3 Cg_endo -69.77 153.83 68.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.4 m95 -155.71 137.65 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.4 m170 -73.87 148.94 41.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' NZ ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 ttmt -64.2 -5.67 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -118.03 -14.45 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 67.5 m -91.86 -34.31 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.86 49.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.922 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.2 m -100.67 175.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.432 ' HG ' ' N ' ' A' ' 55' ' ' CYS . 18.6 t -61.91 165.88 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.56 ' O ' HG22 ' A' ' 35' ' ' THR . 38.4 m -105.8 -1.22 24.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.9 -33.41 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.9 -14.99 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.2 mmm180 66.39 45.64 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -92.2 129.24 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.922 ' HA ' HG12 ' A' ' 33' ' ' VAL . 79.0 mt-30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 21.9 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 98.1 mt -33.49 -47.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -50.96 -51.32 53.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 33.6 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 t -120.81 42.45 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -104.32 81.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.14 108.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -107.56 156.36 19.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m -79.3 109.82 14.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.72 139.71 12.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.485 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.6 t -43.56 144.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.377 . . . . 0.0 110.897 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.2 m -96.71 -25.38 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.0 tp-100 -60.17 -68.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -90.52 -13.4 34.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.8 mmmt 73.28 48.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -124.84 161.84 46.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.557 0.694 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 148.27 64.47 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.478 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.2 mt -117.35 109.29 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -94.87 -57.67 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -129.24 154.22 47.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.43 81.84 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 168.06 25.91 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.08 -175.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.175 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.39 153.73 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -158.93 114.53 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.589 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER 65.79 46.65 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 59.63 35.63 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -144.4 141.26 17.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.606 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.79 150.02 67.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 75.7 m95 -151.01 133.88 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.478 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -71.19 147.13 48.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -63.0 -6.28 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -116.77 -16.91 10.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.2 m -90.71 -33.09 15.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 3.5 t80 -76.07 48.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.897 HG12 ' HA ' ' A' ' 40' ' ' GLN . 34.0 m -97.79 -178.34 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.04 167.56 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.576 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 58.6 m -104.72 -4.0 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -118.21 -37.62 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.5 p -117.11 -3.62 11.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 33.8 mmm-85 51.26 49.64 20.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -95.6 131.57 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.897 ' HA ' HG12 ' A' ' 33' ' ' VAL . 57.9 mt-30 -55.93 94.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 mt -67.56 -29.22 68.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.0 m -50.1 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.95 -53.39 0.74 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -81.95 179.21 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -77.34 143.62 38.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -165.58 151.82 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.9 131.07 14.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.56 149.63 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -94.28 -53.62 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -133.68 -56.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.74 -41.66 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.71 164.54 15.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.08 130.3 53.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 94.4 m-85 -126.99 114.31 17.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.6 p -54.6 140.68 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.3 mm? -31.7 -55.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -42.82 -66.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 61.2 m -58.99 -46.7 87.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -48.09 -43.45 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.4 m -93.08 27.51 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -132.54 -48.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.41 -58.76 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -83.69 -55.77 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.54 152.96 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -164.12 156.52 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.64 -171.6 39.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -167.19 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -70.59 -67.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -94.05 64.85 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.521 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -159.51 116.49 2.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -50.18 122.63 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.12 171.08 17.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -165.1 146.6 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -58.19 97.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.69 140.96 16.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 t -43.52 144.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.2 m -98.28 -24.78 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.2 tp-100 -61.01 -66.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.5 p -93.04 -11.43 33.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.7 mmmt 71.25 49.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' CYS . 2.3 mptt -126.24 161.03 54.48 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.719 . . . . 0.0 110.857 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 148.53 65.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.276 . . . . 0.0 112.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.2 mt -118.11 110.35 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.5 p -94.55 -58.92 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -131.42 148.51 52.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.38 80.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.29 173.15 23.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.73 -175.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.58 156.23 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.9 t80 -163.06 117.22 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.562 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 6.0 mpt_? 65.62 41.55 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 64.1 34.55 11.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -144.74 143.44 21.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.699 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.71 156.03 64.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' O ' ' A' ' 26' ' ' PRO . 59.2 m95 -157.2 137.82 13.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -73.53 145.61 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.6 ttmt -61.83 -7.51 3.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.53 -17.31 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 75.5 m -90.18 -34.62 15.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -75.97 49.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.856 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.8 m -99.97 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.481 ' HA ' HD11 ' A' ' 41' ' ' LEU . 9.8 t -60.1 168.1 2.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 27.3 m -105.64 -6.69 19.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -114.75 -37.32 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -116.56 -7.72 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 55.38 49.52 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -100.42 130.13 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.856 ' HA ' HG12 ' A' ' 33' ' ' VAL . 72.7 mt-30 -43.75 122.51 2.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 34' ' ' CYS . 43.8 mt -109.28 26.71 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.1 m -88.75 -55.56 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.19 -44.41 8.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 8.7 pt20 -78.04 168.61 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -74.32 151.86 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -146.88 161.59 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -160.03 123.48 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.56 140.02 34.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -54.5 4.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.19 -56.46 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -133.88 -43.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -86.55 171.88 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.16 133.33 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 86.2 m-85 -132.63 127.37 34.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p -65.11 143.34 57.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' CYS . 5.7 mp -33.52 -51.16 0.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -47.12 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 66.2 m -54.25 -45.26 72.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -47.47 -45.57 26.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.8 m -90.75 27.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -132.68 -46.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.57 -51.74 26.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -89.91 -56.77 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -84.17 175.98 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.9 m -125.91 44.0 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 66.58 75.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.445 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.0 p -39.12 -53.21 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.8 p -63.48 151.6 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.523 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -117.16 140.27 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t -148.68 146.54 28.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.96 99.01 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -75.61 151.51 37.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -61.37 106.64 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.27 138.6 13.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.6 t -42.9 143.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 26' ' ' PRO . 20.5 m -97.07 -24.14 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.599 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -61.14 -67.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.05 -11.73 35.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 72.04 49.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 8' ' ' CYS . 3.7 mptt -126.15 160.15 58.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.579 0.704 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 148.42 65.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.356 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.8 mt -117.64 104.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 p -93.28 -37.68 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 18' ' ' GLY . 97.9 m -146.97 163.17 37.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.587 ' N ' HG22 ' A' ' 17' ' ' THR . . . 47.34 79.32 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.32 173.23 23.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.98 -175.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.35 147.9 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.4 t80 -155.99 117.38 3.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.07 45.37 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 59.55 35.51 22.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -145.28 141.6 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.79 153.35 68.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.599 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.6 m95 -153.97 135.15 14.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.468 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -72.63 143.86 48.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -57.94 -11.19 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.622 ' O ' HG13 ' A' ' 33' ' ' VAL . 10.8 mt-10 -110.42 -24.21 10.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 99.1 m -83.78 -30.4 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -78.64 44.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.7 m -93.63 179.4 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' CB ' ' H ' ' A' ' 39' ' ' LYS . 9.5 t -65.57 167.98 8.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' THR . 47.7 m -105.51 -4.7 20.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 -34.4 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -120.45 -7.75 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.1 mmt180 55.97 50.07 14.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 35.1 mtpt -98.18 131.99 44.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.687 ' HA ' HG12 ' A' ' 33' ' ' VAL . 59.0 mt-30 -53.32 93.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 16.2 mt -70.34 -3.51 17.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -79.69 42.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -171.59 -31.94 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 41' ' ' LEU . 14.5 pm0 -110.04 150.57 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -56.98 124.3 18.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -128.97 174.68 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.1 t -167.64 126.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 150.21 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -97.29 -55.2 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -123.01 -63.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -133.71 -41.66 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -83.65 165.55 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.06 146.05 27.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.514 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 91.2 m-85 -144.44 118.83 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.5 p -61.52 141.43 57.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 41.1 mt -32.78 -55.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -44.3 -64.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.02 -46.27 85.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -47.64 -44.68 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.447 ' C ' ' HB3' ' A' ' 64' ' ' ALA . 2.1 t -89.03 26.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -133.45 -49.21 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.34 -62.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -77.67 -41.5 37.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.447 ' HB3' ' C ' ' A' ' 60' ' ' CYS . . . -72.67 179.68 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.065 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -139.63 147.16 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.48 -157.93 8.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.6 Cg_endo -69.76 2.07 3.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.338 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' PRO . 4.9 t -34.59 111.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.7 t -39.2 132.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.485 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -93.81 40.0 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.354 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -86.0 -50.96 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.02 -147.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -153.05 116.43 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -53.01 107.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -119.91 139.24 13.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -43.75 145.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 26' ' ' PRO . 18.5 m -98.25 -25.35 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.609 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.71 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -94.26 -11.25 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.26 49.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.12 160.74 55.67 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.05 66.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.372 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.496 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.5 mt -118.8 109.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.1 p -95.32 -55.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.1 m -131.04 150.01 52.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.82 81.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.15 170.23 25.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.71 -175.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 149.5 40.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -155.9 117.23 3.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.17 43.91 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 61.23 35.28 18.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -144.67 142.56 19.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.563 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.77 151.81 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.609 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.5 m95 -153.35 134.82 14.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.496 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.3 m170 -72.48 144.64 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -58.43 -10.89 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 33' ' ' VAL . 17.4 mt-10 -110.96 -23.13 11.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 94.7 m -84.63 -30.37 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -79.25 44.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.673 HG12 ' HA ' ' A' ' 40' ' ' GLN . 31.0 m -93.82 179.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.6 t -62.74 168.52 3.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.556 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 26.2 m -105.16 -6.62 19.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.01 -37.76 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -116.81 -4.32 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 29.3 mmt-85 51.62 49.25 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -98.99 137.57 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.673 ' HA ' HG12 ' A' ' 33' ' ' VAL . 68.6 mt-30 -53.8 101.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 46.8 mt -77.49 -15.35 59.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -57.61 -46.2 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.86 43.37 2.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 6.9 pt20 -175.05 -177.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.944 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -99.04 131.33 45.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -126.79 161.07 29.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 47' ' ' THR . 4.0 t -144.97 113.91 6.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.31 133.78 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.9 tpt85 -85.77 -54.23 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -126.48 -62.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -132.74 -42.6 0.92 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -87.23 169.97 11.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.15 157.41 16.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.556 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 99.0 m-85 -152.77 111.06 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.2 p -50.46 139.65 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.1 mt -31.91 -56.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -41.75 -61.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 50.4 m -62.7 -43.88 97.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -49.14 -41.33 35.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.8 m -96.34 27.1 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.68 -45.07 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.0 mt -70.45 -59.79 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.37 -49.72 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -85.31 91.97 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.075 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -118.44 46.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 63.12 -148.57 50.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 66' ' ' GLY . 53.7 Cg_endo -69.77 178.58 4.43 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -91.54 42.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -112.72 145.37 40.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.493 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -60.23 153.72 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.827 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p 42.98 41.85 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.66 40.22 2.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.1 t -78.54 -67.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.6 m -34.28 110.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.83 141.55 14.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.7 t -45.29 144.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 26' ' ' PRO . 18.3 m -97.57 -25.1 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -60.03 -66.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.0 p -93.13 -11.47 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.6 mmmt 71.54 49.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.06 161.48 51.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 149.53 66.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.0 mt -118.76 111.64 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.35 -59.1 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 m -130.69 151.56 51.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.4 78.17 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.55 168.43 25.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 -175.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 155.4 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.1 t80 -162.48 117.48 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.8 mpt_? 65.74 42.62 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 62.43 35.15 15.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -144.8 142.33 18.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.551 0.691 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.3 Cg_endo -69.74 153.16 69.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.591 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.5 m95 -153.96 134.02 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.7 m170 -70.99 147.65 48.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -63.65 -5.57 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -118.45 -11.12 10.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.1 m -96.21 -31.93 12.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -77.6 46.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.798 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.8 m -96.97 -176.79 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 t -68.03 169.58 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 11.9 m -107.16 -8.53 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -113.3 -34.18 5.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.5 p -121.75 -1.8 9.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 48.46 49.64 17.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -94.88 137.54 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.798 ' HA ' HG12 ' A' ' 33' ' ' VAL . 65.0 mt-30 -63.19 93.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 12.7 mt -70.25 -26.18 63.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -48.86 90.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' LEU . . . 138.65 -44.44 1.11 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 17.9 pm0 -100.71 150.55 22.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -50.13 137.05 18.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -132.61 173.88 10.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -160.6 141.83 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.83 152.94 33.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -100.89 -55.75 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.34 -67.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -132.1 -36.89 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -87.44 159.87 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.47 140.99 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 98.5 m-85 -132.25 110.24 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 56' ' ' LEU . 17.1 p -47.65 141.93 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 3.4 mm? -32.63 -57.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -41.85 -68.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 21.7 m -53.33 -47.27 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -48.84 -43.56 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.546 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 2.2 t -92.31 25.96 2.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.08 -57.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.45 -62.08 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -79.06 -49.77 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.546 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -88.22 86.62 7.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -115.08 44.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.13 -173.83 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.2 t -112.32 -56.46 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -63.56 91.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -160.53 112.6 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -90.35 -51.16 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 101.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.29 140.52 43.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -93.72 98.68 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -115.66 140.89 16.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.6 t -44.16 143.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.5 m -97.04 -24.18 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.5 tp60 -61.17 -67.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.3 p -91.39 -12.05 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.19 49.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.21 160.96 54.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.37 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.1 mt -122.06 114.85 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.9 p -102.78 -55.9 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -128.52 145.54 51.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.74 79.25 0.16 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -139.1 167.3 25.2 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.502 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.39 -175.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.76 157.43 45.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.6 t80 -163.39 115.33 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.587 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.4 mpt_? 65.7 44.11 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 62.11 34.91 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -144.51 142.67 19.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.9 Cg_endo -69.68 154.28 68.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.329 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 65.9 m95 -155.1 137.68 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.489 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.6 m170 -74.0 148.36 42.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -63.52 -6.55 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -116.87 -16.48 10.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 95.9 m -91.25 -32.54 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.23 47.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.838 HG12 ' HA ' ' A' ' 40' ' ' GLN . 25.5 m -98.31 -179.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' HA ' HD11 ' A' ' 41' ' ' LEU . 13.2 t -64.31 167.32 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.562 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 10.5 m -104.32 -5.8 21.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -114.18 -41.12 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -112.68 -8.28 13.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 55.95 48.37 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -100.36 131.38 46.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.838 ' HA ' HG12 ' A' ' 33' ' ' VAL . 63.2 mt-30 -47.8 123.71 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 34' ' ' CYS . 12.6 mt -110.41 29.86 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 m -83.97 -23.35 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.87 -46.08 0.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -80.39 -175.97 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 2.9 mmm180 -94.59 140.76 29.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 47' ' ' THR . 12.3 p90 -114.53 -29.41 6.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 47' ' ' THR . 14.7 t 31.04 47.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -34.05 140.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 63' ' ' TYR . 2.1 tpm_? -70.05 -60.34 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -131.59 -64.92 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -124.49 -36.24 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 17.1 m-85 -89.82 130.45 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 46' ' ' PHE . . . -84.16 126.19 32.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 97.3 m-85 -124.39 110.04 14.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.4 p -42.78 143.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' CYS . 90.0 mt -32.47 -52.23 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.38 -73.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 57.0 m -47.45 -42.46 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -51.03 -39.07 55.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.8 m -95.47 28.51 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.79 -46.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 mt -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 m-85 -84.04 -57.62 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.04 146.77 37.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -85.46 158.96 20.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.38 151.1 18.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.58 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.35 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 32.6 t -83.76 -56.64 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.5 p -92.02 83.8 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.201 -0.777 . . . . 0.0 112.474 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -69.28 135.83 51.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.367 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m 53.75 44.73 29.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.61 -96.84 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -58.07 122.3 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 m -60.59 97.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.62 140.22 15.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 13' ' ' LYS . 10.2 t -43.6 142.9 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 26' ' ' PRO . 17.8 m -97.04 -23.56 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.3 tp60 -61.69 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.0 p -92.02 -13.73 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 20.7 mmmt 74.18 49.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.0 mptt -126.02 160.9 54.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.258 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.4 mt -121.39 110.76 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.7 p -97.31 -63.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.191 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 m -123.35 136.14 54.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.71 82.32 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.71 163.21 27.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.83 -174.98 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.7 t80 -162.46 115.04 1.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.586 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.04 43.78 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 62.18 34.98 15.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -144.85 142.21 18.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.561 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.2 Cg_endo -69.71 154.81 67.48 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.4 m95 -155.41 136.46 13.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.5 m170 -73.06 145.5 46.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -60.18 -9.2 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.7 mt-10 -113.03 -21.29 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.4 m -86.72 -31.81 20.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -76.88 48.99 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.5 m -97.52 -179.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -65.36 168.42 7.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.534 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 25.0 m -104.99 -5.66 20.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.39 -33.33 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.058 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.7 p -122.57 3.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 51.0 mmt-85 43.7 50.94 6.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -97.96 129.39 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.895 ' HA ' HG12 ' A' ' 33' ' ' VAL . 55.0 mt-30 -49.5 110.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 mt -93.06 30.61 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 p -91.4 39.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 167.6 48.81 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -161.07 161.11 31.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -76.36 47.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -48.64 128.44 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 t -120.62 130.31 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.8 138.64 32.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -83.32 -59.66 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -121.6 -64.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.43 -37.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -86.55 158.23 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.42 135.9 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 91.7 m-85 -132.73 116.95 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p -52.71 145.44 12.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.6 mp -33.19 -51.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -48.24 -70.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 96.8 m -52.4 -46.61 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -48.77 -43.66 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.759 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.8 m -95.77 28.21 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.34 -46.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.25 -60.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -86.61 -57.61 2.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.759 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -62.53 168.12 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.2 p -131.94 174.1 10.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.71 70.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 114.83 3.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.0 t -68.26 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.8 t -174.35 135.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.483 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -111.98 -60.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -149.84 136.46 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.34 62.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.9 m -122.21 157.95 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -58.91 101.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -118.68 141.25 15.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.8 t -45.24 143.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.0 m -96.18 -24.75 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.6 tp60 -59.81 -66.14 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.8 p -92.65 -13.98 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.7 mmmt 74.69 46.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.85 161.6 45.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 0.0 110.906 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.6 69.07 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -121.06 113.88 41.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.4 p -99.51 -61.06 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -127.51 145.81 50.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.63 82.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.88 174.18 23.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.6 -175.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.943 0.401 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.67 146.53 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -153.07 116.99 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.586 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER 66.32 46.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.59 35.92 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -145.24 142.88 18.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.77 153.2 69.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.7 m95 -154.73 137.76 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.5 m170 -73.87 148.66 42.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -63.97 -6.11 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -117.16 -15.63 10.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 69.7 m -91.12 -34.41 15.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -75.88 50.49 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.926 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.3 m -102.46 176.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HA ' HD11 ' A' ' 41' ' ' LEU . 17.2 t -61.79 166.17 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 35' ' ' THR . 22.8 m -104.56 -2.14 25.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -116.22 -38.61 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.0 p -115.85 -12.43 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 23.7 mmm180 63.06 42.78 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 33.9 mtmt -90.65 131.42 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.926 ' HA ' HG12 ' A' ' 33' ' ' VAL . 77.2 mt-30 -51.51 111.02 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 34' ' ' CYS . 19.6 mt -95.48 31.09 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -93.96 47.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 165.59 -54.88 0.26 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -58.22 148.27 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -62.9 92.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -99.28 151.67 20.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 t -147.14 120.09 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.05 142.55 33.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 63' ' ' TYR . 40.1 ttt85 -85.34 -51.4 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -133.27 -70.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -119.5 -44.0 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -86.33 160.76 19.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.75 130.63 54.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.75 122.04 35.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 24.3 p -55.66 143.86 28.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 16.8 mt -33.62 -57.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -44.58 -65.39 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 20.0 m -53.55 -47.44 70.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -48.52 -46.87 39.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.598 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.9 t -90.64 25.9 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.0 -56.59 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.82 -61.03 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.427 ' CZ ' ' HD3' ' A' ' 49' ' ' ARG . 12.9 m-85 -84.46 -56.2 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -62.62 93.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.1 p -141.93 169.14 18.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.25 92.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.99 35.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.1 p -109.3 40.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.9 p -51.31 145.84 7.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -44.09 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -47.57 110.62 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.59 72.81 1.22 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 t -90.61 142.14 28.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -58.25 109.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.6 140.57 13.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.505 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -44.1 144.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.6 m -97.17 -25.66 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.47 -66.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -92.38 -11.68 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.8 mmmt 71.42 50.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.6 mptt -126.28 161.42 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 151.51 68.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.304 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.4 mt -121.91 113.87 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -99.3 -59.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.0 m -128.63 143.51 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.13 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.05 163.52 26.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 27' ' ' TRP . 4.3 m -137.1 -175.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.02 146.42 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -153.28 116.45 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 66.24 46.49 2.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 58.82 35.61 24.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -144.91 142.27 18.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.536 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.1 Cg_endo -69.78 153.1 69.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.8 m95 -154.31 138.17 16.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.9 m170 -74.85 145.96 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.05 -8.05 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.14 -20.06 11.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 96.3 m -88.04 -32.86 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -75.78 49.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.82 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.4 m -100.35 175.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.92 168.1 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 35' ' ' THR . 55.0 m -106.68 -2.6 21.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.22 -34.6 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.5 p -118.84 -8.71 10.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.6 mmm180 57.12 49.91 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -98.32 129.78 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.82 ' HA ' HG12 ' A' ' 33' ' ' VAL . 71.7 mt-30 -48.11 113.44 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.13 33.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 p -88.75 -42.25 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -107.9 57.01 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -165.64 162.71 19.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -88.13 49.4 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -39.21 156.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 47' ' ' THR . 8.9 t -144.22 122.67 12.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.76 155.38 17.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HD2' ' CZ ' ' A' ' 63' ' ' TYR . 59.0 ttt85 -99.88 -49.88 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.41 -60.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -134.11 -44.61 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -78.15 155.39 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.89 124.53 49.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.49 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 86.1 m-85 -122.6 112.05 17.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 17.1 p -46.6 166.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.66 -58.67 5.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -44.21 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.3 m -47.46 -48.4 26.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -49.52 -44.31 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.78 28.37 2.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -132.29 -45.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.15 -51.95 40.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.433 ' CZ ' ' HD2' ' A' ' 49' ' ' ARG . 39.9 m-85 -89.95 -70.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.37 137.18 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -112.88 126.1 55.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 166.26 150.22 6.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 90.55 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.6 p -96.87 110.72 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 t -136.36 162.72 32.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.446 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -54.02 154.76 3.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.1 t -104.33 125.33 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.14 67.59 0.13 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -85.01 42.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -64.94 90.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -109.14 141.09 15.89 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.0 t -44.14 143.85 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.5 m -96.93 -24.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.9 tp60 -60.26 -66.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -92.34 -12.03 33.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.2 mmmt 72.12 49.99 0.23 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.38 161.52 51.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.34 68.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.6 113.95 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -98.98 -59.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 m -128.35 144.31 51.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.39 81.6 0.17 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.14 167.9 25.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.5 m -141.05 -175.01 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.7 149.77 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.9 t80 -156.7 116.62 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.5 mpt_? 65.97 45.38 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 60.17 35.61 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -144.76 141.98 18.3 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.607 0.718 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.3 Cg_endo -69.76 155.33 66.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 64.0 m95 -156.42 138.11 14.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -74.65 145.98 42.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -61.27 -8.28 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -113.99 -18.09 11.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.0 m -89.21 -33.97 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -76.65 48.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.889 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.9 m -98.86 173.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' HA ' HD11 ' A' ' 41' ' ' LEU . 13.9 t -59.08 167.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 45.5 m -105.74 -3.09 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.38 -35.58 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 28.5 p -119.45 -10.56 9.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 37.4 mmt-85 60.32 46.46 10.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.0 mtmt -95.56 132.25 40.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.889 ' HA ' HG12 ' A' ' 33' ' ' VAL . 68.6 mt-30 -51.46 114.08 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 34' ' ' CYS . 14.0 mt -98.72 35.62 1.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -94.36 -60.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.9 37.9 3.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -159.59 166.2 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -79.13 148.95 32.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -152.64 177.84 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -164.58 134.81 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.17 153.5 20.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HD2' ' CZ ' ' A' ' 63' ' ' TYR . 38.6 ttt180 -97.82 -44.56 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -133.3 -61.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.32 -39.18 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -90.23 157.69 17.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.33 158.91 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 96.6 m-85 -148.39 109.06 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 56' ' ' LEU . 18.3 p -45.35 139.34 3.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.7 mm? -31.83 -59.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -40.4 -64.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 33.5 m -58.22 -49.27 77.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -47.16 -44.29 21.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.641 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 2.6 t -88.63 26.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -132.21 -57.18 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 mt -53.16 -68.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.409 ' CZ ' ' HD2' ' A' ' 49' ' ' ARG . 14.1 m-85 -83.83 -59.25 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -75.19 156.23 36.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.6 p -122.57 114.18 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.12 -173.84 23.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -178.67 2.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 53.5 m 61.81 41.84 11.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.804 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -71.3 86.02 0.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -127.51 121.68 31.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -107.24 104.05 13.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.24 82.39 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -47.42 125.32 8.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -59.68 100.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -116.97 138.87 14.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.4 t -42.37 143.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 26' ' ' PRO . 19.8 m -97.2 -24.22 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.5 tp60 -61.36 -67.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.3 p -91.57 -11.97 35.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.1 mmmt 72.09 49.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.5 mptt -126.07 161.01 54.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.682 . . . . 0.0 110.937 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 150.23 67.42 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.301 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.6 mt -120.69 108.59 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -94.62 -51.84 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -134.21 154.25 51.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.95 79.22 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.31 165.8 26.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.7 -174.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.51 148.66 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.588 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.3 t80 -155.2 116.2 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.15 46.55 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 58.84 36.11 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -144.99 141.34 17.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.73 151.99 69.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 74.2 m95 -152.86 135.07 14.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.473 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.0 m170 -72.64 144.92 47.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -59.8 -9.7 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 33' ' ' VAL . 9.3 mt-10 -112.28 -22.18 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 98.8 m -85.69 -32.5 21.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.91 48.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.2 m -100.96 178.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 t -63.07 167.23 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 35' ' ' THR . 56.9 m -104.76 -1.55 26.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -119.63 -38.6 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.1 p -115.53 -7.92 12.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.8 mmm180 57.26 47.5 16.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -96.63 131.88 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.788 ' HA ' HG12 ' A' ' 33' ' ' VAL . 46.5 mt-30 -50.2 120.12 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.5 mt -105.45 30.23 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.4 m -90.77 -61.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.05 48.2 2.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.524 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -174.77 158.49 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -64.06 152.94 38.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.51 -177.95 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.49 HG23 HD22 ' A' ' 56' ' ' LEU . 30.2 p -148.55 172.94 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.23 119.11 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.642 ' NH1' ' CE1' ' A' ' 63' ' ' TYR . 15.3 ttp180 -69.74 -60.59 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -127.03 -61.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -130.33 -40.12 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -66.06 157.31 31.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.4 116.31 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 73.2 m-85 -115.72 155.28 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.508 ' O ' ' C ' ' A' ' 56' ' ' LEU . 28.4 p -92.67 141.75 28.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.4 mm? -28.86 -47.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -54.93 -67.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 66.1 m -56.13 -44.52 79.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.74 -35.06 55.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.857 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 2.9 t -101.94 21.09 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -129.93 -27.76 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.81 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.38 -54.18 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.642 ' CE1' ' NH1' ' A' ' 49' ' ' ARG . 28.3 m-85 -100.81 -44.34 5.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.857 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -81.17 59.73 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.124 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLY . 21.5 t -174.19 136.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -33.42 96.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' SER . 53.7 Cg_endo -69.78 143.49 50.92 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.2 m -77.89 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' GLY . 93.8 p -156.12 175.34 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.22 -0.766 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -78.75 -51.72 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -107.21 108.55 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.02 -42.06 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -39.85 154.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 m -91.35 107.65 19.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.88 140.35 14.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.2 t -43.93 144.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 26' ' ' PRO . 16.3 m -97.83 -24.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.589 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.2 tp60 -60.89 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 25.7 p -92.54 -13.23 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 73.53 49.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.63 161.35 51.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.866 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 149.37 66.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.716 2.278 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.484 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -119.46 108.82 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 p -94.73 -59.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m -127.79 147.18 50.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.23 80.86 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.02 167.25 26.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.14 -175.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.47 154.01 45.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -160.31 117.6 2.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.3 mpt_? 65.94 41.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 63.96 34.95 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -144.08 142.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.703 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.599 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.5 Cg_endo -69.79 152.03 69.06 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 71.8 m95 -153.1 134.54 14.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.484 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.9 m170 -71.89 145.21 48.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -60.16 -9.43 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.525 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.0 mt-10 -112.36 -22.17 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 87.5 m -84.88 -33.66 22.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -76.15 48.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.0 m -98.77 174.42 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 38' ' ' ARG . 12.7 t -59.69 167.88 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 8.3 m -106.59 -6.63 17.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -112.15 -33.89 6.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 30.6 p -121.51 -12.21 8.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 10.5 mmm180 60.96 46.5 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 24.0 mtmt -95.22 140.31 30.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.64 ' HA ' HG12 ' A' ' 33' ' ' VAL . 76.2 mt-30 -62.27 97.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 10.3 mt -74.37 -16.9 60.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m -56.46 -29.42 61.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.88 33.82 5.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 18.0 pt20 -170.36 179.27 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 9.8 mtp-105 -83.36 157.14 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -166.83 179.39 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 t -168.1 134.23 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.45 134.06 33.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.093 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -84.22 -46.09 12.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -132.4 -64.06 0.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.58 -37.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.09 161.84 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.75 34.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 78.4 m-85 -129.86 113.07 14.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' LEU . 10.6 p -58.27 139.65 54.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' H ' HD22 ' A' ' 56' ' ' LEU . 4.1 mm? -34.69 -64.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -34.2 -52.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 15.2 m -72.51 -57.0 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -43.71 -27.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 97.3 m -75.74 -39.51 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 6.0 t0 -85.1 -54.5 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 61' ' ' ASP . 68.0 mt -32.77 -70.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -99.13 -69.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 60' ' ' CYS . . . -48.21 170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 p -135.81 138.07 42.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.27 -158.48 14.23 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 86.4 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.2 p -69.75 83.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -132.53 105.53 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.447 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -48.51 -60.47 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m -45.81 -62.05 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.71 108.34 1.95 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 m -94.12 146.61 23.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -56.83 106.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -119.59 142.38 16.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.527 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.0 t -45.09 143.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.8 m -96.5 -24.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.2 tp60 -60.62 -67.43 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.5 p -91.57 -12.92 32.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 28.0 mmmt 73.18 47.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -123.94 161.68 45.45 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.531 0.681 . . . . 0.0 110.891 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 150.54 68.69 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.3 mt -120.4 110.55 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.7 p -97.23 -61.25 1.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.4 m -127.87 142.2 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.67 83.55 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.04 174.99 24.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -148.61 -175.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.51 152.4 45.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 5.2 t80 -159.0 116.7 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.582 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 1.9 mpt_? 65.97 43.55 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 62.07 34.7 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -144.22 142.87 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.66 0.743 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.527 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.3 Cg_endo -69.71 154.2 68.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.289 . . . . 0.0 112.37 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 63.7 m95 -155.48 137.7 14.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.2 m170 -73.9 146.77 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -61.76 -8.08 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -114.48 -18.07 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 91.1 m -89.83 -32.3 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -76.45 48.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.906 HG12 ' HA ' ' A' ' 40' ' ' GLN . 32.7 m -99.23 -177.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.7 t -63.49 168.51 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 40.0 m -104.55 -7.03 20.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.27 -39.24 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.5 p -114.36 -4.52 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.8 mmt180 51.5 50.03 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -98.89 130.85 45.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.906 ' HA ' HG12 ' A' ' 33' ' ' VAL . 76.1 mt-30 -49.73 115.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 mt -99.24 28.51 4.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 p -80.89 -60.45 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -103.32 52.73 0.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 6.0 pt20 -162.5 167.37 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -76.76 130.39 37.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -141.07 157.46 45.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.3 t -154.37 130.15 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.27 128.22 36.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -72.63 -50.84 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -134.1 -62.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.551 ' OD2' ' CE1' ' A' ' 52' ' ' PHE . 10.7 p-10 -133.63 -38.27 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CE1' ' OD2' ' A' ' 51' ' ' ASP . 5.6 m-85 -80.86 153.49 27.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.2 121.9 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 84.5 m-85 -122.37 144.39 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.495 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.3 p -86.64 141.41 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 55' ' ' CYS . 8.2 mp -30.12 -50.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -49.45 -66.86 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 58.2 m -57.82 -47.01 83.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -47.41 -43.41 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.11 28.58 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -41.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.6 mt -72.51 -54.43 9.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -89.69 -66.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.93 154.72 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -155.41 159.21 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 159.3 -120.16 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 144.22 53.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -76.74 136.56 39.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.6 t -48.16 137.7 10.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.45 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 p -93.11 85.93 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -122.28 143.33 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.32 99.01 1.04 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 6' ' ' SER . 54.0 p -64.85 141.89 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 5' ' ' SER . 74.9 m -34.68 110.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -122.17 139.85 13.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 13' ' ' LYS . 5.9 t -44.99 145.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 26' ' ' PRO . 25.0 m -97.39 -26.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.1 tp-100 -58.63 -65.81 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.1 p -93.0 -14.14 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 26.9 mmmt 74.46 47.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -123.86 161.57 45.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.902 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.21 68.76 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.52 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.9 mt -120.64 115.56 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.7 p -100.65 -57.66 2.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 42.2 m -129.44 151.38 50.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.19 82.29 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.08 171.03 24.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.441 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -145.63 -174.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 152.26 43.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.6 t80 -158.38 116.71 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.591 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER 66.4 42.91 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 62.67 35.24 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -144.85 143.58 21.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.611 0.72 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.76 154.74 67.39 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.3 m95 -156.17 136.95 13.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 15' ' ' ILE . 14.4 m170 -73.49 146.53 44.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -62.05 -7.5 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -114.78 -17.27 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.3 m -89.91 -34.04 16.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -76.53 48.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 40' ' ' GLN . 30.0 m -98.8 -177.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.25 168.86 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.507 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 6.1 m -105.14 -7.98 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.78 -37.68 4.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -116.34 -6.37 11.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.0 mmt85 53.47 49.17 20.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -97.76 129.35 44.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.89 ' HA ' HG12 ' A' ' 33' ' ' VAL . 67.9 mt-30 -48.29 113.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 46' ' ' PHE . 11.4 mt -96.28 29.83 2.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -77.1 -48.4 17.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -124.69 65.3 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -170.37 161.63 8.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -66.54 135.07 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 1.8 p90 -164.35 145.42 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 t -144.17 143.67 31.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.57 144.74 29.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.093 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -89.16 -54.59 4.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -124.32 -63.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -132.17 -41.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -84.56 151.58 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.63 136.12 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.507 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 95.4 m-85 -128.16 114.05 16.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' LEU . 11.6 p -55.31 140.46 39.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' CYS . 4.5 mm? -33.85 -59.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' LEU . 13.3 t-20 -37.35 -54.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 56.1 m -71.09 -49.83 40.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -49.39 -26.79 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.694 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 41.8 t -78.09 -39.99 39.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.3 t70 -82.35 -59.4 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' ASP . 92.5 mt -34.58 -72.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -94.2 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -47.45 172.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 p -81.47 161.47 23.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.88 85.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.539 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -9.71 26.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.0 p -84.74 173.09 10.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.8 t -54.74 154.52 4.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -49.14 -59.45 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.879 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -174.08 156.54 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.68 -95.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m -45.53 138.76 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -73.51 109.54 7.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -120.95 139.68 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' LYS . 11.0 t -43.82 143.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 26' ' ' PRO . 21.6 m -97.3 -23.51 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.8 tp60 -61.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -93.36 -12.39 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 27.6 mmmt 72.83 49.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.17 160.67 56.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.515 0.674 . . . . 0.0 110.869 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.16 67.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' CD2' ' A' ' 28' ' ' HIS . 10.9 mt -120.64 112.75 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 p -99.24 -56.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.0 m -129.7 148.78 51.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.61 82.39 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.64 171.05 25.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.94 -175.09 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.16 154.47 44.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 3.8 t80 -161.47 118.6 2.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.595 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 mpt_? 65.47 42.43 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 62.57 35.21 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -144.58 142.49 19.32 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.543 0.687 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.556 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.79 154.83 67.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 67.1 m95 -155.58 135.42 12.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.1 m170 -72.2 148.27 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -63.96 -5.38 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -119.12 -10.93 9.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 70.6 m -96.4 -29.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -80.03 46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' ' 40' ' ' GLN . 27.6 m -95.3 173.13 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.424 ' HA ' HD11 ' A' ' 41' ' ' LEU . 18.5 t -60.5 166.14 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.506 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 23.4 m -105.02 -1.98 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.41 -36.61 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.083 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 25.7 p -118.94 -13.03 9.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 21.5 mmt180 63.46 42.93 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 36.9 mtmt -92.2 136.41 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.739 ' HA ' HG12 ' A' ' 33' ' ' VAL . 63.9 mt-30 -55.49 113.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 34' ' ' CYS . 12.4 mt -98.03 28.08 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.8 p -76.12 -59.76 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -110.0 66.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -172.33 167.11 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.952 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -72.18 133.06 44.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -154.71 150.52 27.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.5 t -150.69 134.8 16.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.16 140.7 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 tpt85 -85.28 -54.45 4.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -124.44 -64.0 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.34 -39.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.02 157.31 19.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.97 136.41 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.506 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 97.5 m-85 -132.2 124.63 29.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 56' ' ' LEU . 20.1 p -64.22 139.59 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.6 mm? -34.13 -51.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -45.72 -55.92 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 47.8 m -67.68 -43.99 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -50.18 -39.51 44.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.18 24.48 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -131.54 -51.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.2 mt -63.13 -59.69 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -80.92 -55.39 4.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 108.19 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -104.58 145.75 29.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.35 114.62 6.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -85.67 45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -127.74 164.32 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.453 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 p -83.0 117.01 22.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 m -79.93 -47.21 15.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.87 138.46 14.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -103.74 -58.34 1.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -62.77 98.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -115.24 140.92 16.66 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.7 t -44.21 143.59 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.6 m -96.25 -24.75 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.593 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 3.9 tp-100 -60.55 -68.25 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 24.9 p -90.57 -13.7 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 8' ' ' CYS . 27.6 mmmt 74.21 46.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -122.92 161.68 43.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.61 67.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.0 mt -118.73 114.84 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.8 p -100.94 -65.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.6 m -122.83 142.75 50.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.84 83.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.76 170.77 25.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.45 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.71 -179.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.14 154.74 50.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 9.4 t80 -161.1 115.75 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.2 mpt_? 65.21 45.36 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 60.51 35.01 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -144.31 140.83 17.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.622 0.725 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.2 Cg_endo -69.75 152.26 69.3 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 73.3 m95 -152.51 135.23 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.7 m170 -72.12 145.91 47.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -60.79 -8.78 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -113.6 -19.69 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 97.1 m -88.73 -31.5 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -76.51 48.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.926 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.4 m -97.09 176.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.8 t -59.87 165.43 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 35' ' ' THR . 90.7 m -104.9 -1.29 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.27 -35.67 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.475 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.6 p -119.1 -11.55 9.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 13.3 mmm180 61.36 46.56 7.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 27.0 mtmt -95.61 133.21 39.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.926 ' HA ' HG12 ' A' ' 33' ' ' VAL . 67.8 mt-30 -55.9 97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 44' ' ' GLN . 17.7 mt -74.11 -10.91 60.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 p -57.53 -55.67 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.39 45.13 3.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' CG ' ' HA ' ' A' ' 41' ' ' LEU . 7.8 pt20 -175.29 -176.88 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -98.09 151.42 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -155.57 -175.33 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 t -170.26 133.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.5 139.09 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.077 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -85.97 -55.19 4.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -128.78 -61.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -131.52 -38.12 1.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -92.17 162.49 14.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.05 146.97 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -146.12 123.03 11.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.6 p -65.37 137.08 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' CYS . 9.2 mp -33.36 -50.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.88 -50.59 26.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 14.9 m -71.83 -44.94 63.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -48.14 -43.17 31.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.749 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 7.2 m -91.63 27.05 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -132.86 -48.74 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.63 -57.72 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -88.58 -57.06 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.749 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -67.33 113.45 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.6 m -116.58 43.91 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 43.06 -144.12 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 179.06 3.99 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.1 p -85.03 -44.18 13.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 t -85.23 90.62 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -172.97 150.4 2.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.836 0.351 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -93.58 -48.68 6.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.67 44.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -127.2 114.05 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -97.25 92.48 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -109.67 141.82 16.21 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.461 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.1 t -45.21 144.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.9 m -97.7 -25.54 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -59.69 -66.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -93.01 -11.48 33.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 29.0 mmmt 71.25 50.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 4.1 mptt -126.57 161.46 52.66 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.903 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 150.6 68.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.533 HG12 ' CD2' ' A' ' 28' ' ' HIS . 12.0 mt -121.17 112.24 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -96.4 -58.37 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.6 m -130.93 147.22 52.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.66 80.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.92 167.97 25.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.6 m -140.42 -175.02 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.164 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.39 143.87 32.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.6 t80 -150.2 115.92 5.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.8 46.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 59.23 34.97 23.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -144.22 142.94 20.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.533 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.8 Cg_endo -69.72 153.51 69.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 59.8 m95 -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.533 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.1 m170 -74.66 144.36 43.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.48 -10.04 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 33' ' ' VAL . 6.6 mt-10 -111.4 -21.65 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 80.6 m -85.6 -33.97 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -76.81 47.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 m -98.73 174.72 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 t -61.86 165.6 5.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.581 ' O ' HG22 ' A' ' 35' ' ' THR . 80.4 m -103.93 -1.18 28.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.17 -37.74 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' CE ' ' A' ' 39' ' ' LYS . 29.8 p -116.85 -11.63 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 26.0 mmt-85 61.21 46.9 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' CE ' ' SG ' ' A' ' 37' ' ' CYS . 31.2 mtmt -96.71 132.06 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.732 ' HA ' HG12 ' A' ' 33' ' ' VAL . 77.9 mt-30 -52.38 113.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' CD1' ' HB1' ' A' ' 53' ' ' ALA . 19.3 mt -94.5 33.21 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -92.01 85.92 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.27 1.67 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -84.24 179.47 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.892 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -95.56 120.34 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' THR . 17.1 p90 -102.1 -26.71 13.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 47' ' ' THR . 9.9 t 32.84 54.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 47' ' ' THR . . . -37.28 132.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -64.07 -53.57 47.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -134.35 -62.21 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -132.66 -34.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 22.0 m-85 -85.52 134.81 34.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -84.38 111.9 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 52' ' ' PHE . 87.4 m-85 -111.27 118.67 36.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 56' ' ' LEU . 15.9 p -61.71 137.39 58.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' CYS . 94.7 mt -30.86 -56.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -41.9 -60.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.55 -43.63 93.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -49.36 -39.8 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -94.82 26.66 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -131.82 -47.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.73 -54.83 21.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -87.0 -58.94 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.63 125.88 29.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.6 t -151.47 147.71 27.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.42 73.37 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.43 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 0.24 5.97 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.0 p -86.34 90.19 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 p -128.4 135.3 49.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -129.57 135.63 48.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -124.67 119.35 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.32 79.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -151.7 174.75 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -130.17 93.96 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -111.24 140.33 16.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 13' ' ' LYS . 7.9 t -44.07 144.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.2 m -97.68 -24.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 5.1 tp60 -60.73 -67.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.72 -12.32 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 21.7 mmmt 72.5 50.14 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -126.26 160.54 57.02 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.685 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 150.44 68.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.383 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.499 HG12 ' CD2' ' A' ' 28' ' ' HIS . 11.7 mt -121.4 106.64 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 p -97.13 -36.75 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -149.89 147.8 28.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.55 75.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.44 174.03 23.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 m -147.48 -175.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.87 145.96 38.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 4.3 t80 -155.17 116.58 4.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 2.1 mpt_? 66.35 46.17 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 59.11 35.01 23.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -145.36 141.47 17.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.543 ' O ' HG22 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.75 156.85 62.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.264 . . . . 0.0 112.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 69.2 m95 -157.24 136.29 11.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.499 ' CD2' HG12 ' A' ' 15' ' ' ILE . 11.8 m170 -73.32 144.43 46.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -60.04 -8.81 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -113.84 -16.98 12.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 76.4 m -90.45 -33.44 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.79 49.61 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.91 HG12 ' HA ' ' A' ' 40' ' ' GLN . 35.9 m -98.36 -178.17 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.496 ' HA ' HD11 ' A' ' 41' ' ' LEU . 8.6 t -65.33 168.61 6.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 54' ' ' TYR . 32.8 m -105.12 -5.11 21.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -117.32 -35.68 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.6 p -120.98 3.71 10.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 16.0 mmt85 43.47 49.71 6.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -98.09 126.83 43.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.91 ' HA ' HG12 ' A' ' 33' ' ' VAL . 58.5 mt-30 -43.96 118.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 34' ' ' CYS . 23.6 mt -105.69 30.84 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.5 m -95.95 -53.98 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.5 36.38 3.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -166.57 171.83 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 156.47 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -160.96 127.84 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.3 t -127.08 129.88 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.86 140.23 29.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' HG2' ' CZ ' ' A' ' 63' ' ' TYR . 3.6 tpm_? -86.33 -50.5 6.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -134.87 -67.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.46 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -89.61 164.97 14.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -104.13 142.22 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 98.7 m-85 -134.29 105.4 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' HD21 ' A' ' 41' ' ' LEU . 14.5 p -39.62 144.05 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' CYS . 36.4 mt -32.66 -62.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -39.3 -68.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 23.3 m -51.84 -51.14 58.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -45.97 -49.35 16.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.56 28.43 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.66 -53.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.18 -57.16 12.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.401 ' CZ ' ' HG2' ' A' ' 49' ' ' ARG . 36.3 m-85 -82.96 -52.72 6.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.09 148.7 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -93.62 42.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.68 -136.29 27.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 120.44 7.22 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.1 p -89.83 90.68 8.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 t -155.0 125.42 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.475 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -170.25 155.73 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -51.19 168.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.7 168.5 19.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -87.13 92.02 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.824 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -122.77 97.28 5.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -114.98 141.25 16.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 13' ' ' LYS . 6.9 t -44.69 144.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 26' ' ' PRO . 23.0 m -97.06 -25.02 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.177 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.4 tp-100 -60.16 -67.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -91.91 -11.73 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 28.5 mmmt 71.49 49.98 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' CYS . 5.7 mptt -126.22 161.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.72 68.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.677 2.252 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG12 ' CD2' ' A' ' 28' ' ' HIS . 13.7 mt -120.79 115.1 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -102.47 -57.17 2.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -128.44 144.16 51.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.12 84.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -144.07 169.19 26.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 27' ' ' TRP . 3.4 m -143.61 -176.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.384 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 148.83 42.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 1.5 t80 -155.15 114.75 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.587 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 66.5 47.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 58.97 35.69 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -145.1 142.33 18.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.541 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.77 154.64 67.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 61.9 m95 -156.02 137.93 14.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.528 ' CD2' HG12 ' A' ' 15' ' ' ILE . 13.3 m170 -74.3 148.4 41.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -64.25 -5.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -119.38 -9.46 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 68.3 m -97.6 -32.99 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.53 46.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.438 ' HB ' ' C ' ' A' ' 38' ' ' ARG . 22.3 m -94.48 178.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -63.19 167.1 5.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.577 ' HB ' ' CE2' ' A' ' 54' ' ' TYR . 73.5 m -104.04 -2.93 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -118.85 -39.94 2.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.5 p -115.36 -6.86 12.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 17.1 mmt180 55.09 48.17 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -95.57 139.22 32.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.433 ' HA ' HG12 ' A' ' 33' ' ' VAL . 46.3 mt-30 -59.54 109.41 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.0 mt -91.73 9.63 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.1 m -77.3 83.29 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.75 -48.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -82.08 158.15 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -74.26 141.68 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -141.44 168.93 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 47' ' ' THR . 3.5 t -149.7 114.19 5.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.94 147.1 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -92.63 -51.41 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -131.51 -63.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -129.92 -40.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.68 170.12 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.87 143.19 44.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CE2' ' HB ' ' A' ' 35' ' ' THR . 79.3 m-85 -134.81 119.64 18.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 56' ' ' LEU . 19.2 p -54.56 141.14 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.3 mp -31.3 -52.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -45.98 -66.44 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 95.9 m -59.3 -48.57 81.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -46.02 -44.9 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.829 ' HA ' ' HB3' ' A' ' 64' ' ' ALA . 1.9 m -88.32 28.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -134.95 -45.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -69.28 -59.83 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.25 -63.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.829 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . . . -62.26 141.04 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.3 m -156.78 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.5 -169.76 29.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -20.61 34.4 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.603 2.202 . . . . 0.0 112.339 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 t -101.83 90.29 3.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.7 m -88.8 42.14 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -76.9 -48.39 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -108.6 79.04 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.21 -142.22 3.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -128.99 144.62 51.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -125.01 94.01 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 26' ' ' PRO . . . -110.92 140.95 16.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.9 t -44.31 144.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' PRO . 26.6 m -97.65 -24.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.577 ' HB2' ' CZ3' ' A' ' 27' ' ' TRP . 4.3 tp-100 -60.79 -66.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 p -91.57 -14.44 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 26.4 mmmt 74.64 48.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -125.08 161.18 50.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.554 0.692 . . . . 0.0 110.94 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.14 69.08 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.51 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.5 mt -121.44 113.64 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.3 p -100.49 -56.18 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.8 m -129.65 147.43 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' ' 29' ' ' LYS . . . 62.39 82.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.68 170.09 25.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.09 -175.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.31 144.46 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 23' ' ' ARG . 2.0 t80 -150.91 116.84 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.581 ' HD3' ' CE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER 66.83 47.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 57.65 36.32 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -145.79 143.3 19.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.56 ' O ' HG22 ' A' ' 9' ' ' VAL . 53.3 Cg_endo -69.77 153.83 68.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CZ3' ' HB2' ' A' ' 10' ' ' GLN . 62.4 m95 -155.71 137.65 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.51 ' CD2' HG12 ' A' ' 15' ' ' ILE . 12.4 m170 -73.87 148.94 41.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' NZ ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 ttmt -64.2 -5.67 5.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -118.03 -14.45 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 28' ' ' HIS . 67.5 m -91.86 -34.31 14.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.86 49.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.922 HG12 ' HA ' ' A' ' 40' ' ' GLN . 33.2 m -100.67 175.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.6 t -61.91 165.88 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.56 ' O ' HG22 ' A' ' 35' ' ' THR . 38.4 m -105.8 -1.22 24.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . . . -115.9 -33.41 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -122.9 -14.99 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' C ' ' HB ' ' A' ' 33' ' ' VAL . 12.2 mmm180 66.39 45.64 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -92.2 129.24 38.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.922 ' HA ' HG12 ' A' ' 33' ' ' VAL . 79.0 mt-30 -55.07 99.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mt -82.69 36.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 p -89.87 -41.39 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.39 -38.86 6.52 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 40' ' ' GLN . 17.0 pm0 -95.39 153.39 17.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -59.69 175.33 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -157.67 144.62 18.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 47' ' ' THR . 9.7 t -136.75 115.31 11.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.62 144.01 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.1 tmt_? -90.12 -59.63 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -119.32 -68.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -126.37 -41.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -87.72 160.34 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' O ' ' CG ' ' A' ' 54' ' ' TYR . . . -91.68 165.66 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.463 ' CE1' ' HB ' ' A' ' 35' ' ' THR . 97.9 m-85 -160.02 130.51 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 56' ' ' LEU . 21.9 p -67.56 137.92 56.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 55' ' ' CYS . 98.1 mt -33.49 -47.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -50.96 -51.32 53.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 36' ' ' ALA . 33.6 m -73.46 -46.54 47.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -50.12 -36.56 30.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.3 t -97.22 26.53 4.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.98 -44.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.52 -69.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 49' ' ' ARG . 71.8 m-85 -73.56 -66.24 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.31 89.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -95.75 129.39 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.13 -156.65 3.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.64 4.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.1 m -131.36 113.31 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t -83.61 155.23 23.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_