data_2en1_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 2en1 _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 ' 11' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 24.1 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.8 -12.86 33.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.7 m-85 -116.42 130.92 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -139.8 128.97 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' GLY . 34.8 t -73.89 101.62 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.43 -23.86 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.4 mt-10 -56.97 -51.98 67.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.19 -40.32 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.94 15.23 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 9.1 mtpt -64.45 -178.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 mtt180 -148.18 155.69 41.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.0 m-85 -154.9 153.07 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.464 HG23 ' NE2' ' A' ' 27' ' ' GLN . 6.7 t -80.84 -11.13 59.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.0 mm100 -144.81 154.36 42.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.507 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -64.84 -46.87 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 75.8 m -46.46 -35.26 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' NE2' HG23 ' A' ' 23' ' ' THR . 28.9 mt-30 -71.54 -53.9 12.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 22' ' ' PHE . 29.8 tp -57.88 -52.14 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -60.47 -25.9 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -81.96 -21.89 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' CE1' ' CD ' ' A' ' 20' ' ' LYS . 6.4 t60 -91.94 -41.1 10.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -47.63 -26.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -53.21 -33.25 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.83 -25.59 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 93.3 m-70 -88.35 -21.24 24.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 30.9 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.549 0.69 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 54.5 m-85 -109.79 129.4 55.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -138.91 131.23 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 19' ' ' GLY . 41.0 t -76.56 109.89 10.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -66.6 -26.93 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.4 mt-10 -54.22 -53.77 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.93 -38.44 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.23 17.52 3.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 23.1 mttm -65.83 -177.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.4 mtt180 -147.89 156.18 42.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 7.2 m-85 -155.25 154.24 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.463 HG21 ' NE2' ' A' ' 27' ' ' GLN . 6.2 t -84.87 -7.92 58.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -144.71 152.81 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.472 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.6 p30 -63.05 -51.2 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' SER . 20.2 m -44.79 -36.09 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.463 ' NE2' HG21 ' A' ' 23' ' ' THR . 27.1 mt-30 -67.49 -55.54 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 26.5 tp -58.36 -55.26 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.16 -25.49 63.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 15.0 t -81.88 -22.45 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.7 t60 -91.48 -40.97 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.19 -22.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -56.63 -32.3 65.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.2 m -59.19 -25.15 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 93.2 m-70 -85.97 -27.27 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 21.0 mtmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.533 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.7 -13.45 34.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 60.3 m-85 -110.37 135.76 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -142.42 127.24 18.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 19' ' ' GLY . 21.9 t -72.17 94.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.47 -24.2 19.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.0 mt-10 -56.43 -51.8 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -119.62 -39.87 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 128.02 12.05 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.4 mtpt -62.93 -179.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.543 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 30.6 mtt85 -148.52 157.36 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' HD13 ' A' ' 28' ' ' LEU . 6.7 m-85 -154.62 152.99 30.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.43 HG23 ' NE2' ' A' ' 27' ' ' GLN . 8.8 t -79.49 -11.97 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.474 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.1 mm100 -143.9 156.51 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.541 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.23 -47.06 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 4.1 m -47.05 -34.49 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' HG23 ' A' ' 23' ' ' THR . 29.5 mt-30 -71.88 -53.99 11.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 22' ' ' PHE . 40.3 tp -58.54 -52.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -58.13 -28.28 64.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -79.7 -23.86 42.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.6 t60 -88.67 -41.56 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -56.62 -32.12 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.2 m -58.83 -31.7 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 90.1 m-70 -79.89 -24.05 41.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 20.0 mtmm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -24.47 29.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 48.5 m-85 -99.03 131.52 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -141.7 129.26 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' GLY . 39.1 t -74.48 110.86 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.43 -26.16 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.2 mt-10 -56.07 -54.34 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.62 -39.74 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.1 17.97 3.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.3 mttt -65.42 -176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 73.3 mtm-85 -148.19 151.89 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.3 m-85 -151.89 154.76 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -85.03 -11.64 54.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.541 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.39 147.83 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.584 ' ND2' ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -56.22 -54.41 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.584 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 53.7 m -38.36 -39.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -67.39 -54.7 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 38.5 tp -59.57 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -58.18 -26.46 62.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 -22.2 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.7 t60 -88.81 -42.93 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -47.15 -26.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -53.67 -33.64 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 m -56.63 -32.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 95.5 m-70 -80.25 -26.87 38.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.57 0.7 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -18.98 36.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.1 m-85 -110.74 132.72 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -141.41 128.41 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' GLY . 47.7 t -73.34 104.79 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.32 -25.67 68.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -54.95 -55.0 35.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -116.15 -38.99 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.43 16.51 3.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.3 mtpp -65.31 -178.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.9 mtt180 -148.41 156.3 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 9.3 m-85 -155.19 154.79 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 t -82.67 -12.13 57.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -141.98 158.89 43.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 4.6 p30 -68.04 -48.81 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -45.37 -38.08 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -67.94 -54.59 17.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 32.0 tp -58.53 -55.27 37.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.42 -26.72 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -81.04 -23.83 38.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 5.6 t60 -88.75 -41.4 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -48.86 -23.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -57.04 -32.11 65.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.3 m -58.91 -28.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.6 -23.95 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 43.0 mttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.559 0.695 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.76 -12.67 33.36 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 56.2 m-85 -110.23 128.5 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -138.16 127.51 24.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.8 t -73.86 107.13 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.44 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -54.41 -53.34 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.93 -38.62 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.88 15.14 3.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -65.65 -178.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 13.3 mtt85 -149.29 153.17 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 7.8 m-85 -149.78 158.76 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.47 HG23 ' NE2' ' A' ' 27' ' ' GLN . 7.3 t -86.67 -12.85 47.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -141.63 153.74 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 26' ' ' SER . 2.2 p30 -63.15 -52.23 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' SER . 24.5 t -42.62 -35.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.47 ' NE2' HG23 ' A' ' 23' ' ' THR . 29.1 mt-30 -71.26 -53.53 14.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 24.9 tp -60.36 -54.27 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -60.84 -26.56 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 21.2 t -82.07 -21.76 36.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.3 t60 -89.68 -41.69 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -49.73 -18.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 7.2 mtp-105 -60.81 -30.93 70.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 m -61.14 -25.85 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -85.31 -28.15 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 23.0 mtmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.5 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.75 -24.57 29.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.389 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 72.6 m-85 -97.92 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -144.2 126.83 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' A' ' 19' ' ' GLY . 40.4 t -72.67 100.69 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.42 -24.81 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 12.0 mt-10 -55.88 -52.79 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.52 -39.63 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.18 14.37 3.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 10.0 mtpp -64.58 -177.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.6 mtm-85 -148.16 158.31 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 10.3 m-85 -156.18 152.18 27.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -80.65 -12.12 59.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -143.06 154.21 43.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.2 p30 -63.59 -51.99 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 57.2 m -42.01 -40.78 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.06 -55.49 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 30.0 tp -57.1 -52.43 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -60.8 -26.52 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -81.3 -21.6 39.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.9 t60 -91.98 -41.54 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.21 -24.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -55.84 -32.57 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -58.26 -30.11 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 92.2 m-70 -82.7 -24.93 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -21.92 32.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 53.8 m-85 -98.08 132.41 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -137.94 129.51 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' GLY . 38.9 t -74.59 98.49 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.99 -25.11 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -55.3 -53.26 58.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -118.02 -39.35 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.14 14.53 3.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mtpp -66.46 179.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.55 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.0 mtm-85 -145.46 160.25 41.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.5 m-85 -158.34 152.7 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.46 HG23 ' NE2' ' A' ' 27' ' ' GLN . 12.2 t -83.33 -10.25 58.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.58 150.51 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.535 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.5 p30 -62.27 -49.33 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -45.01 -37.49 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.46 ' NE2' HG23 ' A' ' 23' ' ' THR . 29.1 mt-30 -68.15 -54.91 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 ' CE1' ' A' ' 22' ' ' PHE . 41.9 tp -58.49 -55.08 39.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -58.48 -26.34 63.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -82.19 -23.61 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.5 t60 -89.24 -39.24 13.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -49.26 -23.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -57.03 -31.59 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 35' ' ' HIS . 12.8 m -60.42 -22.49 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' HG23 ' A' ' 34' ' ' VAL . 96.1 m-70 -93.81 -23.55 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.563 0.697 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -18.37 37.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 59.9 m-85 -102.1 129.21 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -136.57 129.73 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.5 t -74.94 99.74 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -58.7 -25.5 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -55.35 -53.27 58.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.24 -39.49 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.98 15.91 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.5 mttt -67.13 -179.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.5 mtt180 -147.16 154.58 41.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 8.4 m-85 -153.69 149.64 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -79.71 -11.13 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -140.23 153.71 46.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.521 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.9 p30 -65.58 -48.85 70.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' SER . 48.9 m -45.79 -38.49 7.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -67.52 -54.77 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.506 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 31.9 tp -59.26 -56.64 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -56.9 -28.58 62.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.8 t -78.81 -26.59 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.7 t60 -85.59 -41.69 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -48.89 -23.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -57.17 -32.04 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 m -58.88 -30.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.7 m-70 -78.61 -27.97 45.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.512 0.672 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 -16.3 37.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 60.7 m-85 -106.14 137.13 44.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -144.28 128.88 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' GLY . 34.2 t -74.52 101.56 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -60.42 -24.36 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.7 -52.54 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -118.14 -40.12 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.7 16.83 2.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.492 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 7.0 mtpp -67.22 -177.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 61.1 mtm-85 -147.61 158.54 44.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.514 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 9.6 m-85 -156.33 155.2 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 HG23 ' NE2' ' A' ' 27' ' ' GLN . 12.0 t -81.43 -12.29 58.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.547 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -144.08 167.93 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 9.1 p30 -73.63 -52.96 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -42.84 -36.83 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' A' ' 23' ' ' THR . 28.6 mt-30 -67.78 -55.24 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 30.9 tp -58.68 -55.27 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -55.17 -28.21 51.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -77.6 -29.35 51.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CE1' ' CD ' ' A' ' 20' ' ' LYS . 10.4 t60 -84.34 -39.62 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -50.01 -25.87 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -57.69 -31.02 65.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 m -59.8 -28.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -78.85 -21.49 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 29.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -20.42 34.59 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.3 m-85 -103.63 137.89 41.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -143.52 129.53 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 19' ' ' GLY . 37.8 t -74.17 104.55 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.97 -24.62 67.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mt-10 -56.35 -53.33 58.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.49 -39.91 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.02 15.5 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.3 mtpt -65.44 178.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 79.4 mtm-85 -145.3 154.19 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 10.9 m-85 -153.18 152.75 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' NE2' ' A' ' 27' ' ' GLN . 15.4 t -81.62 -11.66 59.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.37 155.3 45.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.8 p30 -65.78 -47.29 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -45.91 -38.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.3 mt-30 -67.83 -54.98 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 32.6 tp -58.12 -56.8 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -53.48 -30.36 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -77.85 -29.86 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.8 t60 -81.52 -40.07 23.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -50.65 -24.92 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -58.69 -30.44 67.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.9 m -60.63 -27.64 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 83.5 m-70 -82.01 -28.19 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 54.6 mttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.537 0.684 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -15.68 37.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.385 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 62.9 m-85 -107.92 140.94 40.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -145.92 129.77 17.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 19' ' ' GLY . 30.9 t -75.31 97.11 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.81 -24.9 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.0 -52.75 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.74 -39.98 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.79 16.31 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mtpt -67.87 -178.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 26.8 mtm180 -146.7 159.17 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 9.7 m-85 -156.65 152.29 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.465 HG22 ' NE2' ' A' ' 27' ' ' GLN . 12.0 t -79.34 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.8 mm100 -144.94 153.89 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.4 p30 -63.38 -49.41 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 9.7 t -43.24 -38.16 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' NE2' HG22 ' A' ' 23' ' ' THR . 29.3 mt-30 -68.99 -54.77 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD12 ' CE1' ' A' ' 22' ' ' PHE . 34.5 tp -57.06 -52.9 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -59.13 -28.16 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -79.76 -21.89 43.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.3 t60 -90.68 -43.31 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -47.63 -23.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -55.85 -32.83 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 m -58.63 -32.43 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -76.74 -23.49 53.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.856 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 36.0 mtmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 -12.74 33.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 64.7 m-85 -106.67 131.11 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -139.0 131.29 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.3 t -76.99 115.04 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -70.37 -25.67 63.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 14.0 mt-10 -55.35 -51.3 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.15 -38.8 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.41 17.15 3.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.3 mttm -65.5 -178.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 75.1 mtm-85 -146.46 153.65 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.0 m-85 -151.26 153.21 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.467 HG21 ' NE2' ' A' ' 27' ' ' GLN . 11.4 t -80.47 -10.31 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.507 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.8 161.0 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.5 p30 -68.74 -51.15 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 30' ' ' SER . 53.6 m -42.89 -37.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.467 ' NE2' HG21 ' A' ' 23' ' ' THR . 30.3 mt-30 -68.38 -54.52 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 15.2 tp -58.23 -55.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.12 -27.52 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.0 t -81.54 -19.83 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.507 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.0 t60 -90.66 -43.27 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -48.06 -20.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -57.82 -32.83 67.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 35' ' ' HIS . 6.0 m -59.11 -32.73 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 91.0 m-70 -74.56 -18.73 60.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 18.4 mtmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 -23.5 30.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 24' ' ' GLN . 51.1 m-85 -98.88 132.52 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.13 129.5 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' GLY . 38.2 t -74.04 104.86 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -64.08 -23.42 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 10.7 mt-10 -57.06 -50.85 71.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.94 -39.08 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.98 14.03 3.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 21.0 mttm -64.22 -178.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 82.5 mtm-85 -147.32 159.84 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.2 m-85 -158.42 152.6 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.476 HG22 ' NE2' ' A' ' 27' ' ' GLN . 14.5 t -78.12 -15.98 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.564 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 4.8 mm100 -140.53 155.47 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -67.9 -36.27 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 m -55.41 -33.92 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.476 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.8 mt-30 -74.82 -50.57 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 19.6 tp -59.56 -56.64 19.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -55.3 -28.59 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.0 t -78.05 -26.34 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.8 t60 -86.97 -39.63 15.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -50.87 -24.23 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 4.1 mtp-105 -59.61 -30.04 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -60.9 -23.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 87.9 m-70 -84.74 -27.96 26.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 37.0 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.58 0.705 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -21.11 33.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 48.0 m-85 -98.36 128.59 44.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -136.04 129.93 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' GLY . 37.7 t -73.29 95.52 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.22 -23.34 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 11.5 mt-10 -58.39 -52.88 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -117.06 -40.32 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 127.17 14.08 2.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.7 mttp -66.28 179.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.464 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 26.7 mtt180 -147.39 155.76 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 7.7 m-85 -153.73 151.22 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -81.92 -11.3 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.17 148.72 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.7 p30 -59.99 -52.28 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -42.33 -42.17 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.44 -56.41 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 32.0 tp -57.52 -53.29 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.45 -26.14 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -82.2 -21.29 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.5 t60 -92.11 -41.06 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -48.65 -23.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -56.41 -32.07 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.8 m -59.82 -23.65 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 98.4 m-70 -94.51 -28.21 15.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HG2' ' C ' ' A' ' 22' ' ' PHE . 19.3 mtmt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.84 -17.31 37.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 70.0 m-85 -107.85 133.09 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -140.56 128.23 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' GLY . 34.5 t -72.43 103.42 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.97 -23.75 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.2 -51.6 68.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -119.61 -40.31 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.66 16.03 2.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 8.1 mtpp -64.94 -177.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 22.5 mtm180 -149.1 153.53 37.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 9.0 m-85 -152.98 154.18 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.424 HG22 ' NE2' ' A' ' 27' ' ' GLN . 7.0 t -81.55 -13.59 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.88 159.21 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 4.8 p30 -66.71 -51.07 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -42.55 -44.87 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' NE2' HG22 ' A' ' 23' ' ' THR . 27.7 mt-30 -60.98 -55.62 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 32.8 tp -57.01 -55.71 31.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -58.44 -27.29 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -80.07 -21.55 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.3 t60 -92.2 -41.62 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.48 -25.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.68 -32.15 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.07 -25.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.49 -24.65 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.496 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 54.2 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -17.01 37.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.8 m-85 -104.67 134.35 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -142.03 128.24 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.5 t -74.09 113.72 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -70.07 -24.29 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mt-10 -56.71 -50.94 70.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -119.74 -38.77 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 14.92 3.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.84 -179.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 27.2 mtt180 -148.23 151.53 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 28' ' ' LEU . 10.6 m-85 -148.29 154.38 39.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -80.55 -11.47 59.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -144.41 158.79 43.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.12 -51.94 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -41.81 -38.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.98 -54.55 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 25.0 tp -58.13 -55.23 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -56.47 -29.15 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 t -78.16 -31.41 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -79.4 -40.03 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -50.15 -25.27 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -58.17 -30.89 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.1 m -59.9 -29.97 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 87.8 m-70 -78.66 -25.5 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 72.5 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -14.41 35.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 69.6 m-85 -107.25 134.69 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -142.85 128.97 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 19' ' ' GLY . 29.0 t -72.92 96.68 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.42 -24.16 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.9 mt-10 -57.19 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.33 -40.34 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.92 14.47 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 14.1 mttm -65.15 -178.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 74.2 mtm-85 -148.19 154.9 40.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CE1' HD11 ' A' ' 28' ' ' LEU . 9.5 m-85 -153.68 150.84 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -82.75 -10.34 58.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -141.42 145.8 35.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.556 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 5.5 p30 -60.48 -48.97 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.6 m -45.3 -34.07 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -73.25 -54.06 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 22' ' ' PHE . 28.2 tp -57.16 -53.67 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -59.18 -28.21 66.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -79.03 -22.86 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.5 t60 -88.67 -42.68 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -50.49 -18.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.3 m -62.1 -31.56 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 81.4 m-70 -75.35 -20.81 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 44.5 mttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.561 0.696 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.74 -18.7 36.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -106.81 133.76 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -141.93 129.26 21.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 19' ' ' GLY . 34.3 t -74.61 111.81 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -69.36 -23.9 63.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.5 mt-10 -57.96 -51.06 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.48 -37.32 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.97 14.84 5.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -64.55 -177.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 70.1 mtm-85 -147.25 156.22 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 12.5 m-85 -154.21 153.77 32.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.41 HG22 ' NE2' ' A' ' 27' ' ' GLN . 14.7 t -80.85 -13.87 58.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.484 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 6.5 mm100 -143.15 159.43 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -67.64 -49.93 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.7 m -42.35 -39.42 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.41 ' NE2' HG22 ' A' ' 23' ' ' THR . 27.5 mt-30 -68.77 -54.45 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 31.3 tp -58.15 -55.9 29.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -57.79 -27.22 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -81.6 -21.39 38.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.8 t60 -90.26 -41.43 11.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.53 -26.7 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.35 -32.55 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.4 m -57.18 -31.54 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 90.0 m-70 -77.26 -18.87 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 2.5 mtmp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.522 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.86 -15.65 36.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.283 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 67.3 m-85 -105.87 136.69 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -143.24 127.2 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.9 t -73.15 100.45 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.44 -25.61 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -55.46 -53.94 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.41 -39.55 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.53 15.59 3.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.6 mttp -66.28 -176.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 10.3 mtt85 -150.24 153.85 36.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 12.5 m-85 -151.91 150.45 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -78.68 -13.31 59.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -140.15 157.42 45.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.28 -50.31 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' SER . 14.5 t -44.06 -38.89 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -66.96 -55.21 15.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 33.2 tp -58.62 -55.18 38.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -58.74 -28.9 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -79.7 -21.68 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.5 t60 -90.18 -43.11 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -46.53 -24.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -53.65 -33.95 56.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 m -57.85 -28.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -84.26 -26.86 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -125.4 112.89 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t 42.82 42.32 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.24 -41.18 96.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -128.05 83.64 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.6 p -66.03 -48.23 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.34 89.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -131.12 113.03 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.49 134.28 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.38 147.0 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 24.1 mttm -114.36 127.43 26.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.8 -12.86 33.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.7 m-85 -116.42 130.92 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -139.8 128.97 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 19' ' ' GLY . 34.8 t -73.89 101.62 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.43 -23.86 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.4 mt-10 -56.97 -51.98 67.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.19 -40.32 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.94 15.23 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 9.1 mtpt -64.45 -178.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 mtt180 -148.18 155.69 41.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 28' ' ' LEU . 4.0 m-85 -154.9 153.07 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.464 HG23 ' NE2' ' A' ' 27' ' ' GLN . 6.7 t -80.84 -11.13 59.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.0 mm100 -144.81 154.36 42.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.507 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -64.84 -46.87 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 75.8 m -46.46 -35.26 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' NE2' HG23 ' A' ' 23' ' ' THR . 28.9 mt-30 -71.54 -53.9 12.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 22' ' ' PHE . 29.8 tp -57.88 -52.14 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -60.47 -25.9 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -81.96 -21.89 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' CE1' ' CD ' ' A' ' 20' ' ' LYS . 6.4 t60 -91.94 -41.1 10.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -47.63 -26.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -53.21 -33.25 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.83 -25.59 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 93.3 m-70 -88.35 -21.24 24.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p -83.87 44.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.18 100.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -115.96 73.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -142.84 140.69 18.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.9 8.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -53.15 121.57 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.28 67.37 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -166.58 137.45 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 m -87.67 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -171.21 134.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -112.91 144.68 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.69 90.69 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -115.01 82.72 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.355 . . . . 0.0 110.821 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -82.65 88.52 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.37 -110.05 3.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -86.73 134.07 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.45 74.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.5 147.24 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 30.9 mttm -136.81 128.05 16.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 54.5 m-85 -109.79 129.4 55.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -138.91 131.23 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 19' ' ' GLY . 41.0 t -76.56 109.89 10.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -66.6 -26.93 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.4 mt-10 -54.22 -53.77 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.93 -38.44 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.23 17.52 3.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 23.1 mttm -65.83 -177.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.4 mtt180 -147.89 156.18 42.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 7.2 m-85 -155.25 154.24 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.463 HG21 ' NE2' ' A' ' 27' ' ' GLN . 6.2 t -84.87 -7.92 58.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -144.71 152.81 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.472 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.6 p30 -63.05 -51.2 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' SER . 20.2 m -44.79 -36.09 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.463 ' NE2' HG21 ' A' ' 23' ' ' THR . 27.1 mt-30 -67.49 -55.54 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 26.5 tp -58.36 -55.26 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.16 -25.49 63.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 15.0 t -81.88 -22.45 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.7 t60 -91.48 -40.97 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.19 -22.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -56.63 -32.3 65.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.2 m -59.19 -25.15 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 93.2 m-70 -85.97 -27.27 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -85.44 41.0 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.09 -57.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.525 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.07 107.87 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 143.53 20.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 138.16 37.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p -44.16 141.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.05 -75.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 112.93 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 t -69.31 90.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -91.1 95.23 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.461 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 p -123.72 154.72 39.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -50.72 157.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.54 171.63 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -45.23 121.61 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -112.42 -48.18 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.57 80.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -83.27 151.64 25.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 0.0 110.807 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.95 -42.26 0.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -149.56 119.93 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 21.0 mtmt -138.08 123.3 12.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.533 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.7 -13.45 34.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 60.3 m-85 -110.37 135.76 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -142.42 127.24 18.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 19' ' ' GLY . 21.9 t -72.17 94.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.47 -24.2 19.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.0 mt-10 -56.43 -51.8 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -119.62 -39.87 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 128.02 12.05 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.4 mtpt -62.93 -179.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.543 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 30.6 mtt85 -148.52 157.36 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' CE1' HD13 ' A' ' 28' ' ' LEU . 6.7 m-85 -154.62 152.99 30.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.43 HG23 ' NE2' ' A' ' 27' ' ' GLN . 8.8 t -79.49 -11.97 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.474 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.1 mm100 -143.9 156.51 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.541 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.23 -47.06 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 4.1 m -47.05 -34.49 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' NE2' HG23 ' A' ' 23' ' ' THR . 29.5 mt-30 -71.88 -53.99 11.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 22' ' ' PHE . 40.3 tp -58.54 -52.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -58.13 -28.28 64.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -79.7 -23.86 42.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 8.6 t60 -88.67 -41.56 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -56.62 -32.12 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.2 m -58.83 -31.7 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 90.1 m-70 -79.89 -24.05 41.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p -102.8 51.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.69 156.27 17.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -75.81 -19.15 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -127.35 157.75 71.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.534 0.683 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.84 31.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -80.55 -56.07 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.6 -153.75 16.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 138.32 37.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.33 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -123.35 76.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 t -133.54 40.95 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.519 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -128.41 172.37 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -42.81 125.99 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.18 142.83 12.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -82.72 168.06 17.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -49.15 116.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.83 79.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -123.57 141.88 51.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.93 105.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.3 120.78 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 20.0 mtmm -116.05 124.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -24.47 29.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 48.5 m-85 -99.03 131.52 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -141.7 129.26 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 19' ' ' GLY . 39.1 t -74.48 110.86 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.43 -26.16 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.2 mt-10 -56.07 -54.34 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.62 -39.74 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.1 17.97 3.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.3 mttt -65.42 -176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 73.3 mtm-85 -148.19 151.89 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.3 m-85 -151.89 154.76 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -85.03 -11.64 54.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.541 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.39 147.83 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.584 ' ND2' ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -56.22 -54.41 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.584 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 53.7 m -38.36 -39.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -67.39 -54.7 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 38.5 tp -59.57 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -58.18 -26.46 62.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 -22.2 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.7 t60 -88.81 -42.93 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -47.15 -26.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -53.67 -33.64 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 m -56.63 -32.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 95.5 m-70 -80.25 -26.87 38.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -83.87 38.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.48 -64.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.5 pt-20 -73.67 134.31 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' GLU . 40.6 tttt -34.31 135.94 0.36 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 136.61 33.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.38 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.9 p -121.43 152.59 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.21 -173.24 3.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 m -103.13 158.23 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -90.34 160.41 16.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.495 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -100.94 152.04 21.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -130.16 84.45 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.39 103.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -131.37 95.4 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -144.32 108.38 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.43 -121.66 4.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.7 p -153.66 131.5 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.18 146.88 18.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.68 116.64 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -138.52 127.55 14.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -18.98 36.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.1 m-85 -110.74 132.72 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -141.41 128.41 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' GLY . 47.7 t -73.34 104.79 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -62.32 -25.67 68.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -54.95 -55.0 35.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -116.15 -38.99 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.43 16.51 3.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.3 mtpp -65.31 -178.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.9 mtt180 -148.41 156.3 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 9.3 m-85 -155.19 154.79 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.7 t -82.67 -12.13 57.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -141.98 158.89 43.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 4.6 p30 -68.04 -48.81 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -45.37 -38.08 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -67.94 -54.59 17.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 32.0 tp -58.53 -55.27 37.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.42 -26.72 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -81.04 -23.83 38.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 5.6 t60 -88.75 -41.4 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -48.86 -23.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -57.04 -32.11 65.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.3 m -58.91 -28.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.6 -23.95 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -83.98 -40.83 17.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.32 -41.02 69.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -119.03 80.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.13 148.96 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 122.7 9.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -79.22 136.43 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 117.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 92.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.29 . . . . 0.0 112.296 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.9 p -109.08 -46.88 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -125.75 162.74 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -124.54 126.58 46.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -61.68 119.07 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.95 156.48 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -122.03 147.15 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 p -58.39 170.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 148.94 179.47 24.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 58.5 m -34.55 115.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.427 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.53 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 43.0 mttm -129.71 116.38 18.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.76 -12.67 33.36 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 56.2 m-85 -110.23 128.5 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -138.16 127.51 24.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.8 t -73.86 107.13 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.44 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -54.41 -53.34 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.93 -38.62 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.88 15.14 3.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -65.65 -178.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.461 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 13.3 mtt85 -149.29 153.17 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 7.8 m-85 -149.78 158.76 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.47 HG23 ' NE2' ' A' ' 27' ' ' GLN . 7.3 t -86.67 -12.85 47.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -141.63 153.74 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 26' ' ' SER . 2.2 p30 -63.15 -52.23 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' SER . 24.5 t -42.62 -35.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.47 ' NE2' HG23 ' A' ' 23' ' ' THR . 29.1 mt-30 -71.26 -53.53 14.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 24.9 tp -60.36 -54.27 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -60.84 -26.56 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 21.2 t -82.07 -21.76 36.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.3 t60 -89.68 -41.69 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -49.73 -18.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 7.2 mtp-105 -60.81 -30.93 70.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 m -61.14 -25.85 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -85.31 -28.15 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -81.61 -39.11 24.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.74 61.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -86.49 133.67 33.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.6 143.51 26.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 124.97 11.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 t -131.86 41.09 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 -174.53 14.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 172.48 12.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' SER . 96.8 p -100.4 94.4 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' GLY . 12.7 t -37.1 -46.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 50.39 42.1 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -86.01 82.25 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.68 104.95 2.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -56.96 159.7 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 m -94.6 -53.15 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.25 72.68 0.6 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 58.1 m -82.02 -51.51 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.842 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -36.12 115.39 0.24 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.81 135.48 56.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 23.0 mtmm -127.2 123.22 23.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.5 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.75 -24.57 29.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.389 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 72.6 m-85 -97.92 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -144.2 126.83 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' A' ' 19' ' ' GLY . 40.4 t -72.67 100.69 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.42 -24.81 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 12.0 mt-10 -55.88 -52.79 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.52 -39.63 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.18 14.37 3.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 10.0 mtpp -64.58 -177.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.6 mtm-85 -148.16 158.31 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 10.3 m-85 -156.18 152.18 27.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -80.65 -12.12 59.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -143.06 154.21 43.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.2 p30 -63.59 -51.99 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 57.2 m -42.01 -40.78 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.06 -55.49 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 30.0 tp -57.1 -52.43 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -60.8 -26.52 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -81.3 -21.6 39.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.9 t60 -91.98 -41.54 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.21 -24.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -55.84 -32.57 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -58.26 -30.11 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 92.2 m-70 -82.7 -24.93 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 p -84.37 42.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.46 -101.05 1.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -129.4 92.14 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -136.84 152.89 75.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -136.42 130.12 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.61 -100.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.554 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.323 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.0 p -111.25 174.85 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.7 m -122.78 41.64 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.468 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -168.94 153.56 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -147.1 155.65 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.74 119.37 0.63 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -60.88 88.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -136.57 123.84 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.84 157.92 30.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 m -105.92 116.76 32.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.96 148.86 4.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.96 146.2 47.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -144.91 117.4 5.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -21.92 32.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 53.8 m-85 -98.08 132.41 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -137.94 129.51 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 19' ' ' GLY . 38.9 t -74.59 98.49 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.99 -25.11 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -55.3 -53.26 58.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -118.02 -39.35 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.14 14.53 3.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mtpp -66.46 179.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.0 mtm-85 -145.46 160.25 41.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.5 m-85 -158.34 152.7 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 HG23 ' NE2' ' A' ' 27' ' ' GLN . 12.2 t -83.33 -10.25 58.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.58 150.51 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.535 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.5 p30 -62.27 -49.33 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -45.01 -37.49 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.46 ' NE2' HG23 ' A' ' 23' ' ' THR . 29.1 mt-30 -68.15 -54.91 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 ' CE1' ' A' ' 22' ' ' PHE . 41.9 tp -58.49 -55.08 39.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -58.48 -26.34 63.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -82.19 -23.61 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.5 t60 -89.24 -39.24 13.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -49.26 -23.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -57.03 -31.59 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 35' ' ' HIS . 12.8 m -60.42 -22.49 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' HG23 ' A' ' 34' ' ' VAL . 96.1 m-70 -93.81 -23.55 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.4 p -71.76 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.12 -60.42 6.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -133.37 156.48 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -91.84 150.98 41.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.77 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -82.36 91.01 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.65 146.43 4.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.25 3.68 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 p -64.55 114.33 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.7 p -161.56 141.06 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.473 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 39.8 t -35.98 115.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -149.98 131.37 14.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.49 99.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -53.38 122.46 9.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.372 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -51.88 115.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.82 71.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -89.69 -50.16 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.936 0.398 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.93 130.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.12 134.64 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -116.04 114.49 41.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -18.37 37.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 59.9 m-85 -102.1 129.21 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -136.57 129.73 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.5 t -74.94 99.74 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -58.7 -25.5 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -55.35 -53.27 58.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.24 -39.49 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.98 15.91 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.5 mttt -67.13 -179.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.5 mtt180 -147.16 154.58 41.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 8.4 m-85 -153.69 149.64 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -79.71 -11.13 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -140.23 153.71 46.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.521 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.9 p30 -65.58 -48.85 70.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' SER . 48.9 m -45.79 -38.49 7.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -67.52 -54.77 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.506 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 31.9 tp -59.26 -56.64 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -56.9 -28.58 62.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.8 t -78.81 -26.59 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.7 t60 -85.59 -41.69 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -48.89 -23.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -57.17 -32.04 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 m -58.88 -30.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.401 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.7 m-70 -78.61 -27.97 45.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.6 p -87.84 39.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.32 -49.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.74 40.88 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 148.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -177.4 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.2 m 56.62 44.66 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.99 95.95 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 106.9 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -121.8 93.24 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 m -58.17 149.61 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.473 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -73.18 158.19 35.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.0 m -134.49 81.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.8 75.59 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -76.11 -46.58 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -109.24 87.83 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.92 153.76 37.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 t -127.41 120.96 29.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.64 -121.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -143.57 137.31 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 19.7 mtmm -144.64 121.91 6.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.512 0.672 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 -16.3 37.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 60.7 m-85 -106.14 137.13 44.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -144.28 128.88 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' GLY . 34.2 t -74.52 101.56 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -60.42 -24.36 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.7 -52.54 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -118.14 -40.12 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.7 16.83 2.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 7.0 mtpp -67.22 -177.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 61.1 mtm-85 -147.61 158.54 44.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.514 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 9.6 m-85 -156.33 155.2 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 HG23 ' NE2' ' A' ' 27' ' ' GLN . 12.0 t -81.43 -12.29 58.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.547 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -144.08 167.93 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 9.1 p30 -73.63 -52.96 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -42.84 -36.83 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' A' ' 23' ' ' THR . 28.6 mt-30 -67.78 -55.24 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 30.9 tp -58.68 -55.27 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -55.17 -28.21 51.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -77.6 -29.35 51.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CE1' ' CD ' ' A' ' 20' ' ' LYS . 10.4 t60 -84.34 -39.62 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -50.01 -25.87 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -57.69 -31.02 65.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 m -59.8 -28.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -78.85 -21.49 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.6 p -90.6 -46.48 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.69 -91.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -92.6 142.94 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -111.27 144.9 31.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.79 13.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -84.36 -43.64 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.8 -173.0 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -57.52 177.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.01 178.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -99.09 177.64 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -87.84 -45.4 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.87 -166.78 12.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -139.88 176.19 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -119.35 115.85 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.92 54.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 m -94.41 41.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.49 105.55 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -83.64 125.58 31.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 29.2 mttt -104.98 121.33 46.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -20.42 34.59 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.3 m-85 -103.63 137.89 41.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -143.52 129.53 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 19' ' ' GLY . 37.8 t -74.17 104.55 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -62.97 -24.62 67.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mt-10 -56.35 -53.33 58.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.49 -39.91 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.02 15.5 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.3 mtpt -65.44 178.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 79.4 mtm-85 -145.3 154.19 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 10.9 m-85 -153.18 152.75 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' NE2' ' A' ' 27' ' ' GLN . 15.4 t -81.62 -11.66 59.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.37 155.3 45.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.8 p30 -65.78 -47.29 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -45.91 -38.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.3 mt-30 -67.83 -54.98 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 32.6 tp -58.12 -56.8 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -53.48 -30.36 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -77.85 -29.86 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 16.8 t60 -81.52 -40.07 23.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -50.65 -24.92 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -58.69 -30.44 67.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.9 m -60.63 -27.64 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 83.5 m-70 -82.01 -28.19 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 p -86.76 39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.99 -54.7 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -109.57 128.92 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.0 110.823 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -121.12 151.46 55.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.342 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -157.67 160.76 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 70.83 96.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.1 Cg_endo -69.78 136.53 33.17 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.724 2.283 . . . . 0.0 112.302 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -63.33 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -133.13 82.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.462 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -67.42 109.82 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -80.06 142.99 34.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 65.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 33.5 m -109.15 -44.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 92.7 p -38.12 104.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 88.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 t 63.16 43.69 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.57 49.6 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.68 115.85 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 54.6 mttp -116.03 116.15 40.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.537 0.684 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -15.68 37.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.385 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 62.9 m-85 -107.92 140.94 40.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -145.92 129.77 17.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 19' ' ' GLY . 30.9 t -75.31 97.11 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.81 -24.9 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.0 -52.75 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.74 -39.98 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.79 16.31 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mtpt -67.87 -178.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 26.8 mtm180 -146.7 159.17 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 9.7 m-85 -156.65 152.29 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.465 HG22 ' NE2' ' A' ' 27' ' ' GLN . 12.0 t -79.34 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.8 mm100 -144.94 153.89 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.4 p30 -63.38 -49.41 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 9.7 t -43.24 -38.16 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' NE2' HG22 ' A' ' 23' ' ' THR . 29.3 mt-30 -68.99 -54.77 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 HD12 ' CE1' ' A' ' 22' ' ' PHE . 34.5 tp -57.06 -52.9 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -59.13 -28.16 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -79.76 -21.89 43.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.3 t60 -90.68 -43.31 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -47.63 -23.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -55.85 -32.83 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 m -58.63 -32.43 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -76.74 -23.49 53.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -93.25 40.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.92 -38.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.52 -27.93 29.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -147.1 160.22 40.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.565 0.697 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 m -49.78 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.96 91.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.41 6.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -62.53 107.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -135.87 134.87 39.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.528 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -139.94 145.18 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.12 82.19 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.77 -73.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -132.34 145.43 51.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -97.39 -55.7 2.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.19 140.49 7.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.436 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -120.26 147.9 44.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.21 -170.47 17.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.3 127.32 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 36.0 mtmt -134.43 114.08 12.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 -12.74 33.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 64.7 m-85 -106.67 131.11 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -139.0 131.29 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 19' ' ' GLY . 48.3 t -76.99 115.04 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -70.37 -25.67 63.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 14.0 mt-10 -55.35 -51.3 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.15 -38.8 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.41 17.15 3.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.3 mttm -65.5 -178.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 75.1 mtm-85 -146.46 153.65 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.0 m-85 -151.26 153.21 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.467 HG21 ' NE2' ' A' ' 27' ' ' GLN . 11.4 t -80.47 -10.31 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.507 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.8 161.0 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.5 p30 -68.74 -51.15 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 30' ' ' SER . 53.6 m -42.89 -37.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' NE2' HG21 ' A' ' 23' ' ' THR . 30.3 mt-30 -68.38 -54.52 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 15.2 tp -58.23 -55.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.12 -27.52 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.0 t -81.54 -19.83 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.507 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.0 t60 -90.66 -43.27 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -48.06 -20.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -57.82 -32.83 67.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 35' ' ' HIS . 6.0 m -59.11 -32.73 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 91.0 m-70 -74.56 -18.73 60.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -98.1 38.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.02 -48.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -137.46 130.93 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 29.0 ttpt -88.85 139.53 29.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.522 0.677 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.75 166.52 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -85.18 163.43 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.04 -157.19 29.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.44 2.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -73.47 133.4 43.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.5 p -79.9 -31.16 40.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -149.45 156.09 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -144.5 163.61 33.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.47 -154.83 9.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -95.88 156.96 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -69.93 -46.35 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.43 155.43 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 m -107.45 133.57 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.13 175.35 46.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.28 144.2 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 18.4 mtmm -140.55 120.05 8.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 -23.5 30.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 24' ' ' GLN . 51.1 m-85 -98.88 132.52 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.13 129.5 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' GLY . 38.2 t -74.04 104.86 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -64.08 -23.42 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 10.7 mt-10 -57.06 -50.85 71.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.94 -39.08 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.98 14.03 3.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 21.0 mttm -64.22 -178.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 82.5 mtm-85 -147.32 159.84 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.2 m-85 -158.42 152.6 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.476 HG22 ' NE2' ' A' ' 27' ' ' GLN . 14.5 t -78.12 -15.98 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.564 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 4.8 mm100 -140.53 155.47 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -67.9 -36.27 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 m -55.41 -33.92 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.476 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.8 mt-30 -74.82 -50.57 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 19.6 tp -59.56 -56.64 19.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -55.3 -28.59 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.0 t -78.05 -26.34 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 10.8 t60 -86.97 -39.63 15.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -50.87 -24.23 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 4.1 mtp-105 -59.61 -30.04 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -60.9 -23.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 87.9 m-70 -84.74 -27.96 26.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -80.86 47.59 1.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.47 -42.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -62.72 -20.84 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -108.91 140.96 22.38 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.552 0.691 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -31.82 19.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -159.95 168.58 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.57 95.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 136.73 33.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.335 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 t -74.31 108.74 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.7 p -117.21 155.27 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -91.66 84.16 5.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -160.48 122.72 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.51 -71.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -91.84 130.09 37.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -45.28 -51.61 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.96 -144.08 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -113.12 135.25 54.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.41 -118.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -129.55 140.92 51.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 37.0 mttt -142.02 113.76 6.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -21.11 33.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 48.0 m-85 -98.36 128.59 44.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -136.04 129.93 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' GLY . 37.7 t -73.29 95.52 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.22 -23.34 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 11.5 mt-10 -58.39 -52.88 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -117.06 -40.32 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 127.17 14.08 2.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.7 mttp -66.28 179.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.464 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 26.7 mtt180 -147.39 155.76 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 7.7 m-85 -153.73 151.22 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -81.92 -11.3 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.17 148.72 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.7 p30 -59.99 -52.28 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -42.33 -42.17 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.44 -56.41 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 32.0 tp -57.52 -53.29 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.45 -26.14 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -82.2 -21.29 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.5 t60 -92.11 -41.06 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -48.65 -23.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -56.41 -32.07 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.8 m -59.82 -23.65 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 98.4 m-70 -94.51 -28.21 15.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.7 p -71.54 -28.13 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 40.86 2.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -162.58 122.17 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 140.25 97.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 164.82 33.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -113.45 79.9 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.75 -158.0 27.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 119.71 6.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -118.34 89.61 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 m -40.03 -47.59 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.523 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -107.94 88.54 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 m -83.15 150.27 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.16 -154.26 8.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -144.49 168.18 20.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -146.02 129.38 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.2 118.47 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 t -125.82 83.51 2.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.91 154.67 6.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -75.66 156.46 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HG2' ' C ' ' A' ' 22' ' ' PHE . 19.3 mtmt -148.28 125.26 5.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.84 -17.31 37.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 70.0 m-85 -107.85 133.09 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -140.56 128.23 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' GLY . 34.5 t -72.43 103.42 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.97 -23.75 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.2 -51.6 68.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -119.61 -40.31 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.66 16.03 2.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 8.1 mtpp -64.94 -177.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 22.5 mtm180 -149.1 153.53 37.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 9.0 m-85 -152.98 154.18 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.424 HG22 ' NE2' ' A' ' 27' ' ' GLN . 7.0 t -81.55 -13.59 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.88 159.21 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 4.8 p30 -66.71 -51.07 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -42.55 -44.87 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' NE2' HG22 ' A' ' 23' ' ' THR . 27.7 mt-30 -60.98 -55.62 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 32.8 tp -57.01 -55.71 31.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -58.44 -27.29 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -80.07 -21.55 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.3 t60 -92.2 -41.62 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.48 -25.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.68 -32.15 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.07 -25.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.49 -24.65 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -91.02 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.83 32.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -173.21 152.99 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -141.84 145.48 36.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.691 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 88.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.3 p -88.02 126.99 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.93 -126.64 2.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.43 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 t -68.01 92.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -107.42 133.65 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.468 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -121.52 157.03 31.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -50.7 164.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.54 -156.16 7.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -121.08 118.64 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -134.33 112.44 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 113.3 -84.97 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 55.3 p 37.1 44.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.8 -163.45 26.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -142.03 149.44 39.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.496 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 54.2 mttt -142.73 119.94 7.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -17.01 37.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.8 m-85 -104.67 134.35 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -142.03 128.24 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 19' ' ' GLY . 36.5 t -74.09 113.72 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -70.07 -24.29 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mt-10 -56.71 -50.94 70.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -119.74 -38.77 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 14.92 3.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.84 -179.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 27.2 mtt180 -148.23 151.53 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 28' ' ' LEU . 10.6 m-85 -148.29 154.38 39.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -80.55 -11.47 59.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -144.41 158.79 43.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.12 -51.94 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -41.81 -38.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.98 -54.55 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 25.0 tp -58.13 -55.23 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -56.47 -29.15 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 t -78.16 -31.41 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -79.4 -40.03 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -50.15 -25.27 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -58.17 -30.89 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.1 m -59.9 -29.97 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 87.8 m-70 -78.66 -25.5 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p -95.95 41.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.2 -80.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -83.34 173.53 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -126.57 150.92 72.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.08 47.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -56.83 -51.03 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.02 12.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 m -76.11 -57.28 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.9 p -129.11 72.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -61.68 132.28 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.807 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -163.24 147.17 10.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.18 161.98 20.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -127.5 143.54 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -105.57 146.82 29.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -87.61 71.96 2.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 7' ' ' GLY . 47.8 t -36.16 137.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.89 156.09 8.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -100.76 123.21 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 72.5 mttt -126.0 120.37 24.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -14.41 35.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 69.6 m-85 -107.25 134.69 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -142.85 128.97 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 19' ' ' GLY . 29.0 t -72.92 96.68 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.42 -24.16 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.9 mt-10 -57.19 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.33 -40.34 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.92 14.47 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 14.1 mttm -65.15 -178.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 74.2 mtm-85 -148.19 154.9 40.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CE1' HD11 ' A' ' 28' ' ' LEU . 9.5 m-85 -153.68 150.84 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -82.75 -10.34 58.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -141.42 145.8 35.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.556 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 5.5 p30 -60.48 -48.97 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.6 m -45.3 -34.07 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -73.25 -54.06 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 22' ' ' PHE . 28.2 tp -57.16 -53.67 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -59.18 -28.21 66.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -79.03 -22.86 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.5 t60 -88.67 -42.68 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -50.49 -18.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.3 m -62.1 -31.56 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 81.4 m-70 -75.35 -20.81 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.3 p -95.53 37.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.18 -119.24 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -140.99 105.59 4.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.64 141.67 15.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.28 32.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.3 p -66.46 168.53 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.43 -93.55 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.28 14.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 t -106.5 136.59 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -45.76 171.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.457 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -155.02 114.8 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -83.46 172.0 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.66 88.14 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -111.4 -44.48 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -67.99 -56.52 8.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.06 107.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -49.07 165.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.24 161.65 11.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -129.96 129.5 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 44.5 mttp -141.24 121.16 8.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.561 0.696 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.74 -18.7 36.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -106.81 133.76 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -141.93 129.26 21.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 19' ' ' GLY . 34.3 t -74.61 111.81 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -69.36 -23.9 63.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.5 mt-10 -57.96 -51.06 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.48 -37.32 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.97 14.84 5.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -64.55 -177.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 70.1 mtm-85 -147.25 156.22 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 12.5 m-85 -154.21 153.77 32.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 HG22 ' NE2' ' A' ' 27' ' ' GLN . 14.7 t -80.85 -13.87 58.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.484 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 6.5 mm100 -143.15 159.43 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -67.64 -49.93 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.7 m -42.35 -39.42 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.41 ' NE2' HG22 ' A' ' 23' ' ' THR . 27.5 mt-30 -68.77 -54.45 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 31.3 tp -58.15 -55.9 29.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -57.79 -27.22 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -81.6 -21.39 38.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.568 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.8 t60 -90.26 -41.43 11.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.53 -26.7 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.35 -32.55 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.4 m -57.18 -31.54 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 90.0 m-70 -77.26 -18.87 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -92.5 40.43 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.71 -45.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -150.4 140.67 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.946 0.403 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -114.29 141.12 25.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 163.07 39.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -119.4 149.49 41.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . -152.93 106.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.78 -1.01 7.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -66.81 -53.09 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.9 p -70.35 136.65 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -118.67 173.72 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 57.34 41.99 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.66 -158.83 31.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -119.3 77.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -129.76 84.86 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.8 -39.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 t -158.3 122.89 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.13 118.76 3.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.67 156.04 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 2.5 mtmp? -113.7 121.67 36.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.522 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.86 -15.65 36.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.283 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 67.3 m-85 -105.87 136.69 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -143.24 127.2 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 19' ' ' GLY . 35.9 t -73.15 100.45 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.44 -25.61 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -55.46 -53.94 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.41 -39.55 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.53 15.59 3.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.6 mttp -66.28 -176.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 10.3 mtt85 -150.24 153.85 36.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 12.5 m-85 -151.91 150.45 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -78.68 -13.31 59.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -140.15 157.42 45.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.28 -50.31 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' SER . 14.5 t -44.06 -38.89 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -66.96 -55.21 15.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 33.2 tp -58.62 -55.18 38.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -58.74 -28.9 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -79.7 -21.68 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.5 t60 -90.18 -43.11 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -46.53 -24.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -53.65 -33.95 56.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.6 m -57.85 -28.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -84.26 -26.86 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -85.09 38.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.06 -48.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -93.05 145.97 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -119.85 141.26 30.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.573 0.702 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -66.62 102.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.52 162.24 34.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.0 Cg_endo -69.71 2.77 3.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 14.2 m -34.35 121.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -48.08 169.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.495 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 24.1 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.8 -12.86 33.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.7 m-85 -116.42 130.92 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -139.8 128.97 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.625 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.8 t -73.89 101.62 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.43 -23.86 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.4 mt-10 -56.97 -51.98 67.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.19 -40.32 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.94 15.23 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -64.45 -178.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 mtt180 -148.18 155.69 41.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CE1' HD13 ' A' ' 28' ' ' LEU . 4.0 m-85 -154.9 153.07 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 t -80.84 -11.13 59.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.0 mm100 -144.81 154.36 42.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -64.84 -46.87 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 75.8 m -46.46 -35.26 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -71.54 -53.9 12.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 15' ' ' CYS . 29.8 tp -57.88 -52.14 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -60.47 -25.9 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -81.96 -21.89 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.4 t-80 -91.94 -41.1 10.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -47.63 -26.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -53.21 -33.25 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.2 m -57.83 -25.59 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.408 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 93.3 m-70 -88.35 -21.24 24.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 30.9 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.549 0.69 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 54.5 m-85 -109.79 129.4 55.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -138.91 131.23 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HA ' HD11 ' A' ' 28' ' ' LEU . 41.0 t -76.56 109.89 10.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -66.6 -26.93 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.4 mt-10 -54.22 -53.77 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.93 -38.44 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.23 17.52 3.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 23.1 mttm -65.83 -177.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.4 mtt180 -147.89 156.18 42.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 7.2 m-85 -155.25 154.24 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -84.87 -7.92 58.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -144.71 152.81 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.6 p30 -63.05 -51.2 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' SER . 20.2 m -44.79 -36.09 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -67.49 -55.54 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 15' ' ' CYS . 26.5 tp -58.36 -55.26 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.16 -25.49 63.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 15.0 t -81.88 -22.45 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.7 t60 -91.48 -40.97 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.19 -22.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -56.63 -32.3 65.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -59.19 -25.15 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 93.2 m-70 -85.97 -27.27 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 21.0 mtmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.7 -13.45 34.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 60.3 m-85 -110.37 135.76 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -142.42 127.24 18.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HA ' HD11 ' A' ' 28' ' ' LEU . 21.9 t -72.17 94.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.47 -24.2 19.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.0 mt-10 -56.43 -51.8 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -119.62 -39.87 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 128.02 12.05 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.4 mtpt -62.93 -179.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.543 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 30.6 mtt85 -148.52 157.36 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.6 ' CE1' HD13 ' A' ' 28' ' ' LEU . 6.7 m-85 -154.62 152.99 30.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.419 HG22 ' OE1' ' A' ' 27' ' ' GLN . 8.8 t -79.49 -11.97 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.484 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.1 mm100 -143.9 156.51 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -67.23 -47.06 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 4.1 m -47.05 -34.49 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.419 ' OE1' HG22 ' A' ' 23' ' ' THR . 74.9 mt-30 -71.88 -53.99 11.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 15' ' ' CYS . 40.3 tp -58.54 -52.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -28.28 64.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -79.7 -23.86 42.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.7 t-80 -88.67 -41.56 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -56.62 -32.12 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -58.83 -31.7 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 90.1 m-70 -79.89 -24.05 41.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 20.0 mtmm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -24.47 29.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 48.5 m-85 -99.03 131.52 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -141.7 129.26 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.1 t -74.48 110.86 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 2.1 mp0 -67.43 -26.16 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.2 mt-10 -56.07 -54.34 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.62 -39.74 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.1 17.97 3.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.3 mttt -65.42 -176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 73.3 mtm-85 -148.19 151.89 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 28' ' ' LEU . 13.3 m-85 -151.89 154.76 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -85.03 -11.64 54.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.55 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.39 147.83 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.523 ' CG ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -56.22 -54.41 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 53.7 m -38.36 -39.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -67.39 -54.7 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 15' ' ' CYS . 38.5 tp -59.57 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -58.18 -26.46 62.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 -22.2 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.7 t60 -88.81 -42.93 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -47.15 -26.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -53.67 -33.64 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 31' ' ' HIS . 9.3 m -56.63 -32.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 57.9 m80 -80.25 -26.87 38.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' CD ' ' HB3' ' A' ' 21' ' ' ARG . 32.5 mttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.57 0.7 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -18.98 36.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.1 m-85 -110.74 132.72 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -141.41 128.41 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.605 ' HA ' HD11 ' A' ' 28' ' ' LEU . 47.7 t -73.34 104.79 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.5 mp0 -62.32 -25.67 68.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -54.95 -55.0 35.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -116.15 -38.99 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.43 16.51 3.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -65.31 -178.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.9 mtt180 -148.41 156.3 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.3 m-85 -155.19 154.79 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.43 HG22 ' OE1' ' A' ' 27' ' ' GLN . 13.7 t -82.67 -12.13 57.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -141.98 158.89 43.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.3 p-10 -68.04 -48.81 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -45.37 -38.08 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' OE1' HG22 ' A' ' 23' ' ' THR . 70.7 mt-30 -67.94 -54.59 17.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.0 tp -58.53 -55.27 37.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.42 -26.72 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -81.04 -23.83 38.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.518 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.3 t-80 -88.75 -41.4 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -48.86 -23.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -57.04 -32.11 65.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.3 m -58.91 -28.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.6 -23.95 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.905 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 43.0 mttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.559 0.695 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.76 -12.67 33.36 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 56.2 m-85 -110.23 128.5 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -138.16 127.51 24.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.8 t -73.86 107.13 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.44 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -54.41 -53.34 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.93 -38.62 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.88 15.14 3.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -65.65 -178.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 13.3 mtt85 -149.29 153.17 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 28' ' ' LEU . 7.8 m-85 -149.78 158.76 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 t -86.67 -12.85 47.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -141.63 153.74 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 26' ' ' SER . 1.8 p-10 -63.15 -52.23 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' SER . 24.5 t -42.62 -35.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -71.26 -53.53 14.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 15' ' ' CYS . 24.9 tp -60.36 -54.27 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -60.84 -26.56 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 21.2 t -82.07 -21.76 36.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.4 t-80 -89.68 -41.69 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -49.73 -18.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 7.2 mtp-105 -60.81 -30.93 70.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.1 m -61.14 -25.85 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -85.31 -28.15 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 23.0 mtmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.75 -24.57 29.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.389 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 72.6 m-85 -97.92 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -144.2 126.83 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.608 ' HA ' HD11 ' A' ' 28' ' ' LEU . 40.4 t -72.67 100.69 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.42 -24.81 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 12.0 mt-10 -55.88 -52.79 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.52 -39.63 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.18 14.37 3.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 10.0 mtpp -64.58 -177.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.6 mtm-85 -148.16 158.31 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 10.3 m-85 -156.18 152.18 27.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -80.65 -12.12 59.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -143.06 154.21 43.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.1 p-10 -63.59 -51.99 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 57.2 m -42.01 -40.78 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.06 -55.49 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 15' ' ' CYS . 30.0 tp -57.1 -52.43 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -60.8 -26.52 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -81.3 -21.6 39.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.5 t-80 -91.98 -41.54 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.21 -24.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -55.84 -32.57 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -58.26 -30.11 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 92.2 m-70 -82.7 -24.93 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 34.3 mtmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -21.92 32.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 53.8 m-85 -98.08 132.41 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -137.94 129.51 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.648 ' HA ' HD11 ' A' ' 28' ' ' LEU . 38.9 t -74.59 98.49 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.99 -25.11 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -55.3 -53.26 58.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -118.02 -39.35 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.14 14.53 3.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mtpp -66.46 179.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.55 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.0 mtm-85 -145.46 160.25 41.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.5 m-85 -158.34 152.7 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 t -83.33 -10.25 58.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -142.58 150.51 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.5 p-10 -62.27 -49.33 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -45.01 -37.49 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -68.15 -54.91 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 15' ' ' CYS . 41.9 tp -58.49 -55.08 39.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -58.48 -26.34 63.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -82.19 -23.61 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' O ' HG22 ' A' ' 34' ' ' VAL . 2.2 t-80 -89.24 -39.24 13.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -49.26 -23.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -57.03 -31.59 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.8 m -60.42 -22.49 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -93.81 -23.55 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 37.1 mtmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.563 0.697 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -18.37 37.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 59.9 m-85 -102.1 129.21 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -136.57 129.73 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.627 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.5 t -74.94 99.74 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -58.7 -25.5 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -55.35 -53.27 58.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.24 -39.49 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.98 15.91 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -67.13 -179.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.5 mtt180 -147.16 154.58 41.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 28' ' ' LEU . 8.4 m-85 -153.69 149.64 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -79.71 -11.13 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -140.23 153.71 46.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.5 p-10 -65.58 -48.85 70.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' SER . 48.9 m -45.79 -38.49 7.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.52 -54.77 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' A' ' 15' ' ' CYS . 31.9 tp -59.26 -56.64 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -56.9 -28.58 62.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.8 t -78.81 -26.59 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.7 t-80 -85.59 -41.69 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -48.89 -23.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -57.17 -32.04 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 31' ' ' HIS . 7.1 m -58.88 -30.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.7 m-70 -78.61 -27.97 45.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.512 0.672 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 -16.3 37.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 60.7 m-85 -106.14 137.13 44.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -144.28 128.88 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.634 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.2 t -74.52 101.56 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -60.42 -24.36 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.7 -52.54 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -118.14 -40.12 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.7 16.83 2.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mtpp -67.22 -177.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 61.1 mtm-85 -147.61 158.54 44.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.6 m-85 -156.33 155.2 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.563 HG22 ' OE1' ' A' ' 27' ' ' GLN . 12.0 t -81.43 -12.29 58.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 3.4 mm-40 -144.08 167.93 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 9.1 p30 -73.63 -52.96 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -42.84 -36.83 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.563 ' OE1' HG22 ' A' ' 23' ' ' THR . 67.9 mt-30 -67.78 -55.24 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.634 HD11 ' HA ' ' A' ' 15' ' ' CYS . 30.9 tp -58.68 -55.27 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -55.17 -28.21 51.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -77.6 -29.35 51.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 34' ' ' VAL . 2.3 t-80 -84.34 -39.62 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -50.01 -25.87 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -57.69 -31.02 65.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.8 m -59.8 -28.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -78.85 -21.49 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 29.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -20.42 34.59 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.3 m-85 -103.63 137.89 41.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -143.52 129.53 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.8 t -74.17 104.55 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 2.0 mp0 -62.97 -24.62 67.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mt-10 -56.35 -53.33 58.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.49 -39.91 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.02 15.5 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.3 mtpt -65.44 178.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 79.4 mtm-85 -145.3 154.19 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 10.9 m-85 -153.18 152.75 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -81.62 -11.66 59.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -142.37 155.3 45.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.6 p-10 -65.78 -47.29 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -45.91 -38.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -67.83 -54.98 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.6 tp -58.12 -56.8 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -53.48 -30.36 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -77.85 -29.86 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.705 ' O ' HG22 ' A' ' 34' ' ' VAL . 16.8 t60 -81.52 -40.07 23.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -50.65 -24.92 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -58.69 -30.44 67.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.9 m -60.63 -27.64 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 83.5 m-70 -82.01 -28.19 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 54.6 mttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.537 0.684 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -15.68 37.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.385 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 62.9 m-85 -107.92 140.94 40.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -145.92 129.77 17.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.641 ' HA ' HD11 ' A' ' 28' ' ' LEU . 30.9 t -75.31 97.11 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.81 -24.9 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.0 -52.75 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.74 -39.98 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.79 16.31 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -67.87 -178.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 26.8 mtm180 -146.7 159.17 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.7 m-85 -156.65 152.29 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 t -79.34 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.8 mm100 -144.94 153.89 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.4 p30 -63.38 -49.41 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 9.7 t -43.24 -38.16 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -68.99 -54.77 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD11 ' HA ' ' A' ' 15' ' ' CYS . 34.5 tp -57.06 -52.9 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -59.13 -28.16 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -79.76 -21.89 43.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.4 t-80 -90.68 -43.31 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -47.63 -23.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -55.85 -32.83 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 31' ' ' HIS . 7.7 m -58.63 -32.43 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -76.74 -23.49 53.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.856 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 36.0 mtmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 -12.74 33.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 64.7 m-85 -106.67 131.11 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -139.0 131.29 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.3 t -76.99 115.04 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -70.37 -25.67 63.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 14.0 mt-10 -55.35 -51.3 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.15 -38.8 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.41 17.15 3.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.3 mttm -65.5 -178.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 75.1 mtm-85 -146.46 153.65 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.0 m-85 -151.26 153.21 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.447 HG22 ' OE1' ' A' ' 27' ' ' GLN . 11.4 t -80.47 -10.31 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 27.3 mm-40 -145.8 161.0 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.5 p30 -68.74 -51.15 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 30' ' ' SER . 53.6 m -42.89 -37.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' OE1' HG22 ' A' ' 23' ' ' THR . 74.7 mt-30 -68.38 -54.52 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 15' ' ' CYS . 15.2 tp -58.23 -55.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.12 -27.52 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.0 t -81.54 -19.83 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.0 t60 -90.66 -43.27 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -48.06 -20.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -57.82 -32.83 67.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.0 m -59.11 -32.73 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 91.0 m-70 -74.56 -18.73 60.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 18.4 mtmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 -23.5 30.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' GLN . 51.1 m-85 -98.88 132.52 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.13 129.5 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.619 ' HA ' HD11 ' A' ' 28' ' ' LEU . 38.2 t -74.04 104.86 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -64.08 -23.42 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 10.7 mt-10 -57.06 -50.85 71.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.94 -39.08 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.98 14.03 3.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 21.0 mttm -64.22 -178.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 82.5 mtm-85 -147.32 159.84 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.2 m-85 -158.42 152.6 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -78.12 -15.98 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 11.5 mm-40 -140.53 155.47 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -67.9 -36.27 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 m -55.41 -33.92 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -74.82 -50.57 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 15' ' ' CYS . 19.6 tp -59.56 -56.64 19.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -55.3 -28.59 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.0 t -78.05 -26.34 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.8 t60 -86.97 -39.63 15.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -50.87 -24.23 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 4.1 mtp-105 -59.61 -30.04 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' HIS . 16.1 m -60.9 -23.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 87.9 m-70 -84.74 -27.96 26.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 37.0 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.58 0.705 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.522 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -21.11 33.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 48.0 m-85 -98.36 128.59 44.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -136.04 129.93 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.7 t -73.29 95.52 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.22 -23.34 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 11.5 mt-10 -58.39 -52.88 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -117.06 -40.32 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 127.17 14.08 2.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -66.28 179.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 26.7 mtt180 -147.39 155.76 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 7.7 m-85 -153.73 151.22 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -81.92 -11.3 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -140.17 148.72 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.1 p-10 -59.99 -52.28 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -42.33 -42.17 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.44 -56.41 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.0 tp -57.52 -53.29 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.45 -26.14 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -82.2 -21.29 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' HG22 ' A' ' 34' ' ' VAL . 1.6 t-80 -92.11 -41.06 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -48.65 -23.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -56.41 -32.07 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.8 m -59.82 -23.65 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 64.5 m80 -94.51 -28.21 15.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 22' ' ' PHE . 19.3 mtmt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.84 -17.31 37.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 70.0 m-85 -107.85 133.09 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -140.56 128.23 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.5 t -72.43 103.42 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.97 -23.75 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.8 mt-10 -57.2 -51.6 68.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -119.61 -40.31 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.66 16.03 2.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 8.1 mtpp -64.94 -177.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 22.5 mtm180 -149.1 153.53 37.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.0 m-85 -152.98 154.18 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -81.55 -13.59 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -140.88 159.21 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.473 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.3 p-10 -66.71 -51.07 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' SER . 33.5 m -42.55 -44.87 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -60.98 -55.62 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.8 tp -57.01 -55.71 31.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -58.44 -27.29 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' SER . 33.0 t -80.07 -21.55 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.4 t-80 -92.2 -41.62 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.48 -25.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.68 -32.15 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.8 m -59.07 -25.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.5 m-70 -84.49 -24.65 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 54.2 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -17.01 37.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.8 m-85 -104.67 134.35 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -142.03 128.24 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.56 ' HA ' HD11 ' A' ' 28' ' ' LEU . 36.5 t -74.09 113.72 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -70.07 -24.29 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mt-10 -56.71 -50.94 70.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -119.74 -38.77 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 14.92 3.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.84 -179.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 27.2 mtt180 -148.23 151.53 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 28' ' ' LEU . 10.6 m-85 -148.29 154.38 39.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -80.55 -11.47 59.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -144.41 158.79 43.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.12 -51.94 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -41.81 -38.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.98 -54.55 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 15' ' ' CYS . 25.0 tp -58.13 -55.23 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -56.47 -29.15 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 t -78.16 -31.41 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.743 ' O ' HG22 ' A' ' 34' ' ' VAL . 15.2 t60 -79.4 -40.03 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -50.15 -25.27 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -58.17 -30.89 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.1 m -59.9 -29.97 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 87.8 m-70 -78.66 -25.5 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 72.5 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -14.41 35.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 69.6 m-85 -107.25 134.69 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -142.85 128.97 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.635 ' HA ' HD11 ' A' ' 28' ' ' LEU . 29.0 t -72.92 96.68 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.42 -24.16 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.9 mt-10 -57.19 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.33 -40.34 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.92 14.47 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -65.15 -178.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 74.2 mtm-85 -148.19 154.9 40.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 9.5 m-85 -153.68 150.84 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -82.75 -10.34 58.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -141.42 145.8 35.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 6.0 p-10 -60.48 -48.97 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.6 m -45.3 -34.07 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -73.25 -54.06 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 15' ' ' CYS . 28.2 tp -57.16 -53.67 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -59.18 -28.21 66.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -79.03 -22.86 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' HG22 ' A' ' 34' ' ' VAL . 1.8 t-80 -88.67 -42.68 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.406 HE21 HD11 ' A' ' 28' ' ' LEU . 64.5 mt-30 -50.49 -18.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.3 m -62.1 -31.56 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 81.4 m-70 -75.35 -20.81 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 44.5 mttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.561 0.696 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.74 -18.7 36.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.509 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -106.81 133.76 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -141.93 129.26 21.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.3 t -74.61 111.81 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -69.36 -23.9 63.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.5 mt-10 -57.96 -51.06 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.48 -37.32 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.97 14.84 5.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -64.55 -177.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 70.1 mtm-85 -147.25 156.22 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 28' ' ' LEU . 12.5 m-85 -154.21 153.77 32.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -80.85 -13.87 58.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.493 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 26.9 mm-40 -143.15 159.43 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 26' ' ' SER . 2.2 p-10 -67.64 -49.93 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.7 m -42.35 -39.42 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.77 -54.45 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 15' ' ' CYS . 31.3 tp -58.15 -55.9 29.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -57.79 -27.22 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -81.6 -21.39 38.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.8 t60 -90.26 -41.43 11.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.53 -26.7 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.35 -32.55 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.4 m -57.18 -31.54 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 90.0 m-70 -77.26 -18.87 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 2.5 mtmp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.86 -15.65 36.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.283 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 67.3 m-85 -105.87 136.69 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -143.24 127.2 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.9 t -73.15 100.45 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.44 -25.61 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -55.46 -53.94 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.41 -39.55 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.53 15.59 3.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -66.28 -176.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 10.3 mtt85 -150.24 153.85 36.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 28' ' ' LEU . 12.5 m-85 -151.91 150.45 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -78.68 -13.31 59.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -140.15 157.42 45.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.28 -50.31 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' SER . 14.5 t -44.06 -38.89 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -66.96 -55.21 15.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 15' ' ' CYS . 33.2 tp -58.62 -55.18 38.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -58.74 -28.9 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -79.7 -21.68 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.3 t-80 -90.18 -43.11 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -46.53 -24.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -53.65 -33.95 56.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.6 m -57.85 -28.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -84.26 -26.86 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -125.4 112.89 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t 42.82 42.32 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.24 -41.18 96.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -128.05 83.64 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.6 p -66.03 -48.23 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.34 89.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -131.12 113.03 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.49 134.28 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.38 147.0 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 24.1 mttm -114.36 127.43 26.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.8 -12.86 33.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.7 m-85 -116.42 130.92 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -139.8 128.97 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.625 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.8 t -73.89 101.62 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.43 -23.86 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.4 mt-10 -56.97 -51.98 67.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.19 -40.32 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.94 15.23 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 9.1 mtpt -64.45 -178.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 mtt180 -148.18 155.69 41.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CE1' HD13 ' A' ' 28' ' ' LEU . 4.0 m-85 -154.9 153.07 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 t -80.84 -11.13 59.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.0 mm100 -144.81 154.36 42.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -64.84 -46.87 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 75.8 m -46.46 -35.26 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -71.54 -53.9 12.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 15' ' ' CYS . 29.8 tp -57.88 -52.14 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -60.47 -25.9 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -81.96 -21.89 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.4 t60 -91.94 -41.1 10.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -47.63 -26.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -53.21 -33.25 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.2 m -57.83 -25.59 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.408 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 93.3 m-70 -88.35 -21.24 24.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p -83.87 44.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.18 100.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -115.96 73.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -142.84 140.69 18.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.9 8.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -53.15 121.57 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.28 67.37 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -166.58 137.45 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 m -87.67 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -171.21 134.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -112.91 144.68 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.69 90.69 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -115.01 82.72 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.355 . . . . 0.0 110.821 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -82.65 88.52 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.37 -110.05 3.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -86.73 134.07 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.45 74.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.5 147.24 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 30.9 mttm -136.81 128.05 16.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 54.5 m-85 -109.79 129.4 55.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -138.91 131.23 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HA ' HD11 ' A' ' 28' ' ' LEU . 41.0 t -76.56 109.89 10.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -66.6 -26.93 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.4 mt-10 -54.22 -53.77 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.93 -38.44 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.23 17.52 3.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 23.1 mttm -65.83 -177.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.4 mtt180 -147.89 156.18 42.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 7.2 m-85 -155.25 154.24 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -84.87 -7.92 58.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -144.71 152.81 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.6 p30 -63.05 -51.2 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' SER . 20.2 m -44.79 -36.09 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -67.49 -55.54 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 15' ' ' CYS . 26.5 tp -58.36 -55.26 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.16 -25.49 63.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 15.0 t -81.88 -22.45 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.7 t60 -91.48 -40.97 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.19 -22.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -56.63 -32.3 65.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -59.19 -25.15 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 93.2 m-70 -85.97 -27.27 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -85.44 41.0 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.09 -57.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.525 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.07 107.87 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 143.53 20.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 138.16 37.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p -44.16 141.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.05 -75.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 112.93 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 t -69.31 90.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -91.1 95.23 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.461 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 p -123.72 154.72 39.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -50.72 157.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.54 171.63 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -45.23 121.61 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -112.42 -48.18 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.57 80.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -83.27 151.64 25.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 0.0 110.807 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.95 -42.26 0.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -149.56 119.93 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 21.0 mtmt -138.08 123.3 12.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.7 -13.45 34.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 60.3 m-85 -110.37 135.76 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -142.42 127.24 18.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HA ' HD11 ' A' ' 28' ' ' LEU . 21.9 t -72.17 94.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.47 -24.2 19.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.0 mt-10 -56.43 -51.8 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -119.62 -39.87 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 128.02 12.05 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.4 mtpt -62.93 -179.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.543 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 30.6 mtt85 -148.52 157.36 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.6 ' CE1' HD13 ' A' ' 28' ' ' LEU . 6.7 m-85 -154.62 152.99 30.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.419 HG22 ' OE1' ' A' ' 27' ' ' GLN . 8.8 t -79.49 -11.97 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.484 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.1 mm100 -143.9 156.51 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -67.23 -47.06 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 4.1 m -47.05 -34.49 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.419 ' OE1' HG22 ' A' ' 23' ' ' THR . 74.9 mt-30 -71.88 -53.99 11.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 15' ' ' CYS . 40.3 tp -58.54 -52.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -28.28 64.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -79.7 -23.86 42.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.6 t60 -88.67 -41.56 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -56.62 -32.12 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -58.83 -31.7 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 90.1 m-70 -79.89 -24.05 41.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p -102.8 51.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.69 156.27 17.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -75.81 -19.15 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -127.35 157.75 71.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.534 0.683 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.84 31.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -80.55 -56.07 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.6 -153.75 16.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 138.32 37.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.33 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -123.35 76.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 t -133.54 40.95 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.519 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -128.41 172.37 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -42.81 125.99 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.18 142.83 12.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -82.72 168.06 17.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -49.15 116.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.83 79.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -123.57 141.88 51.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.93 105.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.3 120.78 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 20.0 mtmm -116.05 124.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -24.47 29.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 48.5 m-85 -99.03 131.52 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -141.7 129.26 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.1 t -74.48 110.86 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 2.1 mp0 -67.43 -26.16 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.2 mt-10 -56.07 -54.34 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.62 -39.74 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.1 17.97 3.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.3 mttt -65.42 -176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 73.3 mtm-85 -148.19 151.89 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 28' ' ' LEU . 13.3 m-85 -151.89 154.76 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -85.03 -11.64 54.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.55 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.39 147.83 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.523 ' CG ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -56.22 -54.41 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 53.7 m -38.36 -39.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -67.39 -54.7 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 15' ' ' CYS . 38.5 tp -59.57 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -58.18 -26.46 62.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 -22.2 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.7 t60 -88.81 -42.93 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -47.15 -26.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -53.67 -33.64 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 31' ' ' HIS . 9.3 m -56.63 -32.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 95.5 m-70 -80.25 -26.87 38.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -83.87 38.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.48 -64.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.5 pt-20 -73.67 134.31 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' GLU . 40.6 tttt -34.31 135.94 0.36 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 136.61 33.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.38 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.9 p -121.43 152.59 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.21 -173.24 3.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 m -103.13 158.23 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -90.34 160.41 16.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.495 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -100.94 152.04 21.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -130.16 84.45 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.39 103.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -131.37 95.4 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -144.32 108.38 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.43 -121.66 4.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.7 p -153.66 131.5 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.18 146.88 18.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.68 116.64 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' CD ' ' HB3' ' A' ' 21' ' ' ARG . 32.5 mttm -138.52 127.55 14.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -18.98 36.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.1 m-85 -110.74 132.72 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -141.41 128.41 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.605 ' HA ' HD11 ' A' ' 28' ' ' LEU . 47.7 t -73.34 104.79 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.5 mp0 -62.32 -25.67 68.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -54.95 -55.0 35.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -116.15 -38.99 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.43 16.51 3.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.3 mtpp -65.31 -178.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.9 mtt180 -148.41 156.3 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.3 m-85 -155.19 154.79 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.43 HG22 ' OE1' ' A' ' 27' ' ' GLN . 13.7 t -82.67 -12.13 57.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -141.98 158.89 43.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.3 p-10 -68.04 -48.81 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -45.37 -38.08 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' OE1' HG22 ' A' ' 23' ' ' THR . 70.7 mt-30 -67.94 -54.59 17.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.0 tp -58.53 -55.27 37.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.42 -26.72 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -81.04 -23.83 38.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 5.6 t60 -88.75 -41.4 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -48.86 -23.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -57.04 -32.11 65.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.3 m -58.91 -28.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.6 -23.95 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -83.98 -40.83 17.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.32 -41.02 69.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -119.03 80.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.13 148.96 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 122.7 9.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -79.22 136.43 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 117.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 92.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.29 . . . . 0.0 112.296 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.9 p -109.08 -46.88 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -125.75 162.74 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -124.54 126.58 46.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -61.68 119.07 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.95 156.48 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -122.03 147.15 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 p -58.39 170.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 148.94 179.47 24.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 58.5 m -34.55 115.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.427 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.53 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 43.0 mttm -129.71 116.38 18.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.76 -12.67 33.36 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 56.2 m-85 -110.23 128.5 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -138.16 127.51 24.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.8 t -73.86 107.13 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.44 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -54.41 -53.34 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.93 -38.62 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.88 15.14 3.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -65.65 -178.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 13.3 mtt85 -149.29 153.17 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 28' ' ' LEU . 7.8 m-85 -149.78 158.76 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.3 t -86.67 -12.85 47.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -141.63 153.74 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 26' ' ' SER . 1.8 p-10 -63.15 -52.23 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' SER . 24.5 t -42.62 -35.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -71.26 -53.53 14.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 15' ' ' CYS . 24.9 tp -60.36 -54.27 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -60.84 -26.56 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 21.2 t -82.07 -21.76 36.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.3 t60 -89.68 -41.69 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -49.73 -18.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 7.2 mtp-105 -60.81 -30.93 70.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.1 m -61.14 -25.85 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -85.31 -28.15 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -81.61 -39.11 24.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.74 61.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -86.49 133.67 33.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.6 143.51 26.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 124.97 11.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 t -131.86 41.09 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 -174.53 14.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 172.48 12.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' SER . 96.8 p -100.4 94.4 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' GLY . 12.7 t -37.1 -46.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 50.39 42.1 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -86.01 82.25 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.68 104.95 2.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -56.96 159.7 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 m -94.6 -53.15 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.25 72.68 0.6 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 58.1 m -82.02 -51.51 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.842 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -36.12 115.39 0.24 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.81 135.48 56.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 23.0 mtmm -127.2 123.22 23.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.75 -24.57 29.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.389 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 72.6 m-85 -97.92 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -144.2 126.83 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.608 ' HA ' HD11 ' A' ' 28' ' ' LEU . 40.4 t -72.67 100.69 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.42 -24.81 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 12.0 mt-10 -55.88 -52.79 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.52 -39.63 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.18 14.37 3.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.587 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 10.0 mtpp -64.58 -177.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.6 mtm-85 -148.16 158.31 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 10.3 m-85 -156.18 152.18 27.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -80.65 -12.12 59.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -143.06 154.21 43.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.1 p-10 -63.59 -51.99 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 57.2 m -42.01 -40.78 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.06 -55.49 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 15' ' ' CYS . 30.0 tp -57.1 -52.43 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -60.8 -26.52 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -81.3 -21.6 39.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.9 t60 -91.98 -41.54 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.21 -24.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -55.84 -32.57 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -58.26 -30.11 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 92.2 m-70 -82.7 -24.93 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 p -84.37 42.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.46 -101.05 1.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -129.4 92.14 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -136.84 152.89 75.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -136.42 130.12 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.61 -100.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.554 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.323 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.0 p -111.25 174.85 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.7 m -122.78 41.64 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.468 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -168.94 153.56 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -147.1 155.65 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.74 119.37 0.63 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -60.88 88.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -136.57 123.84 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.84 157.92 30.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 m -105.92 116.76 32.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.96 148.86 4.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.96 146.2 47.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 34.3 mtmt -144.91 117.4 5.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -21.92 32.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 53.8 m-85 -98.08 132.41 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -137.94 129.51 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.648 ' HA ' HD11 ' A' ' 28' ' ' LEU . 38.9 t -74.59 98.49 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.99 -25.11 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -55.3 -53.26 58.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -118.02 -39.35 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.14 14.53 3.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mtpp -66.46 179.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.0 mtm-85 -145.46 160.25 41.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.5 m-85 -158.34 152.7 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 t -83.33 -10.25 58.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -142.58 150.51 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.5 p-10 -62.27 -49.33 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -45.01 -37.49 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -68.15 -54.91 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 15' ' ' CYS . 41.9 tp -58.49 -55.08 39.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -58.48 -26.34 63.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -82.19 -23.61 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.5 t60 -89.24 -39.24 13.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -49.26 -23.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -57.03 -31.59 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.8 m -60.42 -22.49 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -93.81 -23.55 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.4 p -71.76 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.12 -60.42 6.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -133.37 156.48 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -91.84 150.98 41.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.77 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -82.36 91.01 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.65 146.43 4.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.25 3.68 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 p -64.55 114.33 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.7 p -161.56 141.06 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.473 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 39.8 t -35.98 115.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -149.98 131.37 14.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.49 99.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -53.38 122.46 9.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.372 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -51.88 115.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.82 71.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -89.69 -50.16 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.936 0.398 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.93 130.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.12 134.64 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 37.1 mtmt -116.04 114.49 41.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -18.37 37.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 59.9 m-85 -102.1 129.21 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -136.57 129.73 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.627 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.5 t -74.94 99.74 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -58.7 -25.5 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -55.35 -53.27 58.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.24 -39.49 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.98 15.91 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.5 mttt -67.13 -179.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.5 mtt180 -147.16 154.58 41.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 28' ' ' LEU . 8.4 m-85 -153.69 149.64 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -79.71 -11.13 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -140.23 153.71 46.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.5 p-10 -65.58 -48.85 70.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' SER . 48.9 m -45.79 -38.49 7.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.52 -54.77 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' A' ' 15' ' ' CYS . 31.9 tp -59.26 -56.64 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -56.9 -28.58 62.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.8 t -78.81 -26.59 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.583 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.7 t60 -85.59 -41.69 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -48.89 -23.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -57.17 -32.04 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 31' ' ' HIS . 7.1 m -58.88 -30.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.7 m-70 -78.61 -27.97 45.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.6 p -87.84 39.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.32 -49.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.74 40.88 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 148.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -177.4 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.2 m 56.62 44.66 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.99 95.95 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 106.9 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -121.8 93.24 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 m -58.17 149.61 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.473 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -73.18 158.19 35.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.0 m -134.49 81.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.8 75.59 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -76.11 -46.58 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -109.24 87.83 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.92 153.76 37.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 t -127.41 120.96 29.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.64 -121.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -143.57 137.31 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 19.7 mtmm -144.64 121.91 6.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.512 0.672 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 -16.3 37.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 60.7 m-85 -106.14 137.13 44.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -144.28 128.88 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.634 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.2 t -74.52 101.56 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -60.42 -24.36 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.7 -52.54 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -118.14 -40.12 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.7 16.83 2.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 7.0 mtpp -67.22 -177.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 61.1 mtm-85 -147.61 158.54 44.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.6 m-85 -156.33 155.2 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.563 HG22 ' OE1' ' A' ' 27' ' ' GLN . 12.0 t -81.43 -12.29 58.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 3.4 mm-40 -144.08 167.93 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 9.1 p30 -73.63 -52.96 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -42.84 -36.83 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.563 ' OE1' HG22 ' A' ' 23' ' ' THR . 67.9 mt-30 -67.78 -55.24 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.634 HD11 ' HA ' ' A' ' 15' ' ' CYS . 30.9 tp -58.68 -55.27 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -55.17 -28.21 51.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -77.6 -29.35 51.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.4 t60 -84.34 -39.62 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -50.01 -25.87 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -57.69 -31.02 65.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.8 m -59.8 -28.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -78.85 -21.49 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.6 p -90.6 -46.48 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.69 -91.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -92.6 142.94 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -111.27 144.9 31.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.79 13.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -84.36 -43.64 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.8 -173.0 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -57.52 177.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.01 178.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -99.09 177.64 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -87.84 -45.4 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.87 -166.78 12.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -139.88 176.19 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -119.35 115.85 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.92 54.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 m -94.41 41.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.49 105.55 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -83.64 125.58 31.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 29.2 mttt -104.98 121.33 46.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -20.42 34.59 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.3 m-85 -103.63 137.89 41.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -143.52 129.53 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.8 t -74.17 104.55 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 2.0 mp0 -62.97 -24.62 67.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mt-10 -56.35 -53.33 58.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.49 -39.91 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.02 15.5 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.3 mtpt -65.44 178.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 79.4 mtm-85 -145.3 154.19 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 10.9 m-85 -153.18 152.75 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -81.62 -11.66 59.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -142.37 155.3 45.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.6 p-10 -65.78 -47.29 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -45.91 -38.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -67.83 -54.98 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.6 tp -58.12 -56.8 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -53.48 -30.36 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -77.85 -29.86 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.705 ' O ' HG22 ' A' ' 34' ' ' VAL . 16.8 t60 -81.52 -40.07 23.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -50.65 -24.92 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -58.69 -30.44 67.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.9 m -60.63 -27.64 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 83.5 m-70 -82.01 -28.19 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 p -86.76 39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.99 -54.7 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -109.57 128.92 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.0 110.823 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -121.12 151.46 55.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.342 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -157.67 160.76 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 70.83 96.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.1 Cg_endo -69.78 136.53 33.17 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.724 2.283 . . . . 0.0 112.302 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -63.33 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -133.13 82.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.462 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -67.42 109.82 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -80.06 142.99 34.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 65.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 33.5 m -109.15 -44.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 92.7 p -38.12 104.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 88.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 t 63.16 43.69 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.57 49.6 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.68 115.85 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 54.6 mttp -116.03 116.15 40.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.537 0.684 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -15.68 37.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.385 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 62.9 m-85 -107.92 140.94 40.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -145.92 129.77 17.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.641 ' HA ' HD11 ' A' ' 28' ' ' LEU . 30.9 t -75.31 97.11 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.81 -24.9 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.0 -52.75 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.74 -39.98 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.79 16.31 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mtpt -67.87 -178.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 26.8 mtm180 -146.7 159.17 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.7 m-85 -156.65 152.29 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.0 t -79.34 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.8 mm100 -144.94 153.89 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.4 p30 -63.38 -49.41 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 9.7 t -43.24 -38.16 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -68.99 -54.77 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD11 ' HA ' ' A' ' 15' ' ' CYS . 34.5 tp -57.06 -52.9 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -59.13 -28.16 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -79.76 -21.89 43.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.3 t60 -90.68 -43.31 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -47.63 -23.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -55.85 -32.83 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 31' ' ' HIS . 7.7 m -58.63 -32.43 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -76.74 -23.49 53.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -93.25 40.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.92 -38.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.52 -27.93 29.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -147.1 160.22 40.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.565 0.697 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 m -49.78 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.96 91.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.41 6.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -62.53 107.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -135.87 134.87 39.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.528 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -139.94 145.18 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.12 82.19 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.77 -73.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -132.34 145.43 51.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -97.39 -55.7 2.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.19 140.49 7.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.436 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -120.26 147.9 44.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.21 -170.47 17.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.3 127.32 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 36.0 mtmt -134.43 114.08 12.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 -12.74 33.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 64.7 m-85 -106.67 131.11 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -139.0 131.29 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.3 t -76.99 115.04 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -70.37 -25.67 63.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 14.0 mt-10 -55.35 -51.3 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.15 -38.8 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.41 17.15 3.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.3 mttm -65.5 -178.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 75.1 mtm-85 -146.46 153.65 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.0 m-85 -151.26 153.21 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.447 HG22 ' OE1' ' A' ' 27' ' ' GLN . 11.4 t -80.47 -10.31 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 27.3 mm-40 -145.8 161.0 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.5 p30 -68.74 -51.15 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 30' ' ' SER . 53.6 m -42.89 -37.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' OE1' HG22 ' A' ' 23' ' ' THR . 74.7 mt-30 -68.38 -54.52 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 15' ' ' CYS . 15.2 tp -58.23 -55.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.12 -27.52 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.0 t -81.54 -19.83 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.0 t60 -90.66 -43.27 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -48.06 -20.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -57.82 -32.83 67.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.0 m -59.11 -32.73 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 91.0 m-70 -74.56 -18.73 60.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -98.1 38.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.02 -48.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -137.46 130.93 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 29.0 ttpt -88.85 139.53 29.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.522 0.677 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.75 166.52 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -85.18 163.43 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.04 -157.19 29.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.44 2.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -73.47 133.4 43.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.5 p -79.9 -31.16 40.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -149.45 156.09 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -144.5 163.61 33.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.47 -154.83 9.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -95.88 156.96 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -69.93 -46.35 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.43 155.43 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 m -107.45 133.57 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.13 175.35 46.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.28 144.2 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 18.4 mtmm -140.55 120.05 8.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 -23.5 30.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' GLN . 51.1 m-85 -98.88 132.52 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.13 129.5 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.619 ' HA ' HD11 ' A' ' 28' ' ' LEU . 38.2 t -74.04 104.86 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -64.08 -23.42 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 10.7 mt-10 -57.06 -50.85 71.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.94 -39.08 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.98 14.03 3.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 21.0 mttm -64.22 -178.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 82.5 mtm-85 -147.32 159.84 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.2 m-85 -158.42 152.6 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -78.12 -15.98 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 11.5 mm-40 -140.53 155.47 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -67.9 -36.27 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 m -55.41 -33.92 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -74.82 -50.57 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 15' ' ' CYS . 19.6 tp -59.56 -56.64 19.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -55.3 -28.59 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.0 t -78.05 -26.34 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.8 t60 -86.97 -39.63 15.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -50.87 -24.23 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 4.1 mtp-105 -59.61 -30.04 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' HIS . 16.1 m -60.9 -23.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 87.9 m-70 -84.74 -27.96 26.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -80.86 47.59 1.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.47 -42.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -62.72 -20.84 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -108.91 140.96 22.38 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.552 0.691 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -31.82 19.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -159.95 168.58 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.57 95.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 136.73 33.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.335 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 t -74.31 108.74 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.7 p -117.21 155.27 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -91.66 84.16 5.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -160.48 122.72 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.51 -71.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -91.84 130.09 37.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -45.28 -51.61 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.96 -144.08 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -113.12 135.25 54.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.41 -118.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -129.55 140.92 51.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 37.0 mttt -142.02 113.76 6.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.522 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -21.11 33.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 48.0 m-85 -98.36 128.59 44.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -136.04 129.93 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.7 t -73.29 95.52 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.22 -23.34 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 11.5 mt-10 -58.39 -52.88 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -117.06 -40.32 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 127.17 14.08 2.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.7 mttp -66.28 179.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 26.7 mtt180 -147.39 155.76 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 7.7 m-85 -153.73 151.22 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -81.92 -11.3 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -140.17 148.72 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.1 p-10 -59.99 -52.28 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -42.33 -42.17 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.44 -56.41 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.0 tp -57.52 -53.29 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.45 -26.14 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -82.2 -21.29 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.582 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.5 t60 -92.11 -41.06 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -48.65 -23.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -56.41 -32.07 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.8 m -59.82 -23.65 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 98.4 m-70 -94.51 -28.21 15.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.7 p -71.54 -28.13 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 40.86 2.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -162.58 122.17 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 140.25 97.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 164.82 33.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -113.45 79.9 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.75 -158.0 27.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 119.71 6.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -118.34 89.61 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 m -40.03 -47.59 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.523 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -107.94 88.54 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 m -83.15 150.27 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.16 -154.26 8.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -144.49 168.18 20.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -146.02 129.38 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.2 118.47 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 t -125.82 83.51 2.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.91 154.67 6.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -75.66 156.46 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 22' ' ' PHE . 19.3 mtmt -148.28 125.26 5.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.84 -17.31 37.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 70.0 m-85 -107.85 133.09 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -140.56 128.23 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.5 t -72.43 103.42 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.97 -23.75 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.8 mt-10 -57.2 -51.6 68.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -119.61 -40.31 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.66 16.03 2.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 8.1 mtpp -64.94 -177.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 22.5 mtm180 -149.1 153.53 37.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.0 m-85 -152.98 154.18 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 t -81.55 -13.59 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -140.88 159.21 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.473 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.3 p-10 -66.71 -51.07 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' SER . 33.5 m -42.55 -44.87 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -60.98 -55.62 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.8 tp -57.01 -55.71 31.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -58.44 -27.29 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' SER . 33.0 t -80.07 -21.55 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.3 t60 -92.2 -41.62 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.48 -25.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.68 -32.15 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.8 m -59.07 -25.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.5 m-70 -84.49 -24.65 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -91.02 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.83 32.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -173.21 152.99 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -141.84 145.48 36.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.691 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 88.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.3 p -88.02 126.99 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.93 -126.64 2.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.43 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 t -68.01 92.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -107.42 133.65 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.468 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -121.52 157.03 31.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -50.7 164.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.54 -156.16 7.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -121.08 118.64 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -134.33 112.44 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 113.3 -84.97 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 55.3 p 37.1 44.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.8 -163.45 26.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -142.03 149.44 39.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 54.2 mttt -142.73 119.94 7.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -17.01 37.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.8 m-85 -104.67 134.35 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -142.03 128.24 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.56 ' HA ' HD11 ' A' ' 28' ' ' LEU . 36.5 t -74.09 113.72 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -70.07 -24.29 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mt-10 -56.71 -50.94 70.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -119.74 -38.77 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 14.92 3.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.84 -179.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 27.2 mtt180 -148.23 151.53 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 28' ' ' LEU . 10.6 m-85 -148.29 154.38 39.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -80.55 -11.47 59.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -144.41 158.79 43.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.12 -51.94 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -41.81 -38.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.98 -54.55 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 15' ' ' CYS . 25.0 tp -58.13 -55.23 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -56.47 -29.15 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 t -78.16 -31.41 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.743 ' O ' HG22 ' A' ' 34' ' ' VAL . 15.2 t60 -79.4 -40.03 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -50.15 -25.27 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -58.17 -30.89 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.1 m -59.9 -29.97 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 87.8 m-70 -78.66 -25.5 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p -95.95 41.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.2 -80.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -83.34 173.53 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -126.57 150.92 72.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.08 47.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -56.83 -51.03 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.02 12.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 m -76.11 -57.28 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.9 p -129.11 72.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -61.68 132.28 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.807 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -163.24 147.17 10.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.18 161.98 20.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -127.5 143.54 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -105.57 146.82 29.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -87.61 71.96 2.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 7' ' ' GLY . 47.8 t -36.16 137.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.89 156.09 8.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -100.76 123.21 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 72.5 mttt -126.0 120.37 24.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -14.41 35.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 69.6 m-85 -107.25 134.69 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -142.85 128.97 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.635 ' HA ' HD11 ' A' ' 28' ' ' LEU . 29.0 t -72.92 96.68 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.42 -24.16 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.9 mt-10 -57.19 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.33 -40.34 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.92 14.47 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 14.1 mttm -65.15 -178.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 74.2 mtm-85 -148.19 154.9 40.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 9.5 m-85 -153.68 150.84 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -82.75 -10.34 58.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -141.42 145.8 35.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 6.0 p-10 -60.48 -48.97 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.6 m -45.3 -34.07 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -73.25 -54.06 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 15' ' ' CYS . 28.2 tp -57.16 -53.67 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -59.18 -28.21 66.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -79.03 -22.86 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.581 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.5 t60 -88.67 -42.68 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.406 HE21 HD11 ' A' ' 28' ' ' LEU . 64.5 mt-30 -50.49 -18.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.3 m -62.1 -31.56 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 81.4 m-70 -75.35 -20.81 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.3 p -95.53 37.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.18 -119.24 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -140.99 105.59 4.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.64 141.67 15.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.28 32.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.3 p -66.46 168.53 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.43 -93.55 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.28 14.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 t -106.5 136.59 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -45.76 171.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.457 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -155.02 114.8 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -83.46 172.0 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.66 88.14 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -111.4 -44.48 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -67.99 -56.52 8.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.06 107.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -49.07 165.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.24 161.65 11.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -129.96 129.5 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 44.5 mttp -141.24 121.16 8.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.561 0.696 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.74 -18.7 36.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.509 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -106.81 133.76 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -141.93 129.26 21.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.3 t -74.61 111.81 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -69.36 -23.9 63.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.5 mt-10 -57.96 -51.06 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.48 -37.32 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.97 14.84 5.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -64.55 -177.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 70.1 mtm-85 -147.25 156.22 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 28' ' ' LEU . 12.5 m-85 -154.21 153.77 32.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -80.85 -13.87 58.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.493 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 26.9 mm-40 -143.15 159.43 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 26' ' ' SER . 2.2 p-10 -67.64 -49.93 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.7 m -42.35 -39.42 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.77 -54.45 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 15' ' ' CYS . 31.3 tp -58.15 -55.9 29.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -57.79 -27.22 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -81.6 -21.39 38.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.8 t60 -90.26 -41.43 11.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.53 -26.7 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.35 -32.55 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.4 m -57.18 -31.54 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 90.0 m-70 -77.26 -18.87 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -92.5 40.43 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.71 -45.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -150.4 140.67 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.946 0.403 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -114.29 141.12 25.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 163.07 39.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -119.4 149.49 41.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.426 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . -152.93 106.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.78 -1.01 7.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -66.81 -53.09 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.9 p -70.35 136.65 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -118.67 173.72 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 57.34 41.99 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.66 -158.83 31.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -119.3 77.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -129.76 84.86 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.8 -39.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 t -158.3 122.89 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.13 118.76 3.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.67 156.04 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 2.5 mtmp? -113.7 121.67 36.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.86 -15.65 36.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.283 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 67.3 m-85 -105.87 136.69 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -143.24 127.2 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.9 t -73.15 100.45 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.44 -25.61 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -55.46 -53.94 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.41 -39.55 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.53 15.59 3.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.576 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.6 mttp -66.28 -176.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 10.3 mtt85 -150.24 153.85 36.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 28' ' ' LEU . 12.5 m-85 -151.91 150.45 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -78.68 -13.31 59.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -140.15 157.42 45.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.28 -50.31 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' SER . 14.5 t -44.06 -38.89 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -66.96 -55.21 15.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 15' ' ' CYS . 33.2 tp -58.62 -55.18 38.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -58.74 -28.9 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -79.7 -21.68 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.5 t60 -90.18 -43.11 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -46.53 -24.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -53.65 -33.95 56.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.6 m -57.85 -28.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -84.26 -26.86 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -85.09 38.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.06 -48.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -93.05 145.97 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -119.85 141.26 30.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.573 0.702 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -66.62 102.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.52 162.24 34.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.0 Cg_endo -69.71 2.77 3.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 14.2 m -34.35 121.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -48.08 169.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.495 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 24.1 mttm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.8 -12.86 33.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.7 m-85 -116.42 130.92 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -139.8 128.97 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.625 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.8 t -73.89 101.62 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.43 -23.86 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.4 mt-10 -56.97 -51.98 67.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.19 -40.32 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.94 15.23 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 9.1 mtpt -64.45 -178.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 mtt180 -148.18 155.69 41.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CE1' HD13 ' A' ' 28' ' ' LEU . 4.0 m-85 -154.9 153.07 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.458 HG22 ' NE2' ' A' ' 27' ' ' GLN . 6.7 t -80.84 -11.13 59.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.0 mm100 -144.81 154.36 42.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -64.84 -46.87 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 75.8 m -46.46 -35.26 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.458 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.9 mt-30 -71.54 -53.9 12.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 15' ' ' CYS . 29.8 tp -57.88 -52.14 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -60.47 -25.9 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -81.96 -21.89 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.4 t60 -91.94 -41.1 10.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -47.63 -26.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -53.21 -33.25 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.2 m -57.83 -25.59 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.408 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 93.3 m-70 -88.35 -21.24 24.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 30.9 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.549 0.69 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 54.5 m-85 -109.79 129.4 55.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -138.91 131.23 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HA ' HD11 ' A' ' 28' ' ' LEU . 41.0 t -76.56 109.89 10.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -66.6 -26.93 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.4 mt-10 -54.22 -53.77 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.93 -38.44 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.23 17.52 3.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 23.1 mttm -65.83 -177.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.4 mtt180 -147.89 156.18 42.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 7.2 m-85 -155.25 154.24 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.412 HG22 ' NE2' ' A' ' 27' ' ' GLN . 6.2 t -84.87 -7.92 58.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -144.71 152.81 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.6 p30 -63.05 -51.2 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' SER . 20.2 m -44.79 -36.09 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' NE2' HG22 ' A' ' 23' ' ' THR . 27.1 mt-30 -67.49 -55.54 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 15' ' ' CYS . 26.5 tp -58.36 -55.26 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.16 -25.49 63.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 15.0 t -81.88 -22.45 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.7 t60 -91.48 -40.97 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.19 -22.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -56.63 -32.3 65.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -59.19 -25.15 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 93.2 m-70 -85.97 -27.27 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 21.0 mtmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.7 -13.45 34.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 60.3 m-85 -110.37 135.76 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -142.42 127.24 18.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HA ' HD11 ' A' ' 28' ' ' LEU . 21.9 t -72.17 94.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.47 -24.2 19.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.0 mt-10 -56.43 -51.8 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -119.62 -39.87 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 128.02 12.05 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.4 mtpt -62.93 -179.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.543 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 30.6 mtt85 -148.52 157.36 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.6 ' CE1' HD13 ' A' ' 28' ' ' LEU . 6.7 m-85 -154.62 152.99 30.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.731 HG22 HE22 ' A' ' 27' ' ' GLN . 8.8 t -79.49 -11.97 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.484 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.1 mm100 -143.9 156.51 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.23 -47.06 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 4.1 m -47.05 -34.49 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.731 HE22 HG22 ' A' ' 23' ' ' THR . 29.5 mt-30 -71.88 -53.99 11.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 15' ' ' CYS . 40.3 tp -58.54 -52.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -58.13 -28.28 64.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -79.7 -23.86 42.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.6 t60 -88.67 -41.56 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -56.62 -32.12 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -58.83 -31.7 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 90.1 m-70 -79.89 -24.05 41.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 20.0 mtmm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -24.47 29.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 48.5 m-85 -99.03 131.52 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -141.7 129.26 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.1 t -74.48 110.86 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 2.1 mp0 -67.43 -26.16 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.2 mt-10 -56.07 -54.34 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.62 -39.74 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.1 17.97 3.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.3 mttt -65.42 -176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 73.3 mtm-85 -148.19 151.89 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 28' ' ' LEU . 13.3 m-85 -151.89 154.76 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.407 HG22 ' NE2' ' A' ' 27' ' ' GLN . 6.0 t -85.03 -11.64 54.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.55 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.39 147.83 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -56.22 -54.41 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.573 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 53.7 m -38.36 -39.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.8 mt-30 -67.39 -54.7 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 15' ' ' CYS . 38.5 tp -59.57 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -58.18 -26.46 62.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 -22.2 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.7 t60 -88.81 -42.93 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -47.15 -26.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -53.67 -33.64 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 31' ' ' HIS . 9.3 m -56.63 -32.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 95.5 m-70 -80.25 -26.87 38.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' CD ' ' HB3' ' A' ' 21' ' ' ARG . 32.5 mttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.57 0.7 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -18.98 36.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.1 m-85 -110.74 132.72 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -141.41 128.41 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.605 ' HA ' HD11 ' A' ' 28' ' ' LEU . 47.7 t -73.34 104.79 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 3.5 mp0 -62.32 -25.67 68.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -54.95 -55.0 35.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -116.15 -38.99 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.43 16.51 3.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.3 mtpp -65.31 -178.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.9 mtt180 -148.41 156.3 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.3 m-85 -155.19 154.79 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.649 HG22 HE22 ' A' ' 27' ' ' GLN . 13.7 t -82.67 -12.13 57.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -141.98 158.89 43.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 4.6 p30 -68.04 -48.81 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -45.37 -38.08 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.649 HE22 HG22 ' A' ' 23' ' ' THR . 30.5 mt-30 -67.94 -54.59 17.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.0 tp -58.53 -55.27 37.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.42 -26.72 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -81.04 -23.83 38.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 5.6 t60 -88.75 -41.4 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -48.86 -23.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -57.04 -32.11 65.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.3 m -58.91 -28.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.6 -23.95 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.905 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 43.0 mttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.559 0.695 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.76 -12.67 33.36 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 56.2 m-85 -110.23 128.5 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -138.16 127.51 24.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.8 t -73.86 107.13 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.44 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -54.41 -53.34 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.93 -38.62 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.88 15.14 3.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -65.65 -178.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 13.3 mtt85 -149.29 153.17 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 28' ' ' LEU . 7.8 m-85 -149.78 158.76 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.7 HG22 HE22 ' A' ' 27' ' ' GLN . 7.3 t -86.67 -12.85 47.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -141.63 153.74 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 26' ' ' SER . 2.2 p30 -63.15 -52.23 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' SER . 24.5 t -42.62 -35.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.7 HE22 HG22 ' A' ' 23' ' ' THR . 29.1 mt-30 -71.26 -53.53 14.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 15' ' ' CYS . 24.9 tp -60.36 -54.27 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -60.84 -26.56 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 21.2 t -82.07 -21.76 36.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.3 t60 -89.68 -41.69 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -49.73 -18.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 7.2 mtp-105 -60.81 -30.93 70.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.1 m -61.14 -25.85 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -85.31 -28.15 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 23.0 mtmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.75 -24.57 29.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.389 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 72.6 m-85 -97.92 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -144.2 126.83 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.608 ' HA ' HD11 ' A' ' 28' ' ' LEU . 40.4 t -72.67 100.69 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.42 -24.81 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 12.0 mt-10 -55.88 -52.79 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.52 -39.63 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.18 14.37 3.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.587 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 10.0 mtpp -64.58 -177.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.6 mtm-85 -148.16 158.31 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 10.3 m-85 -156.18 152.18 27.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.482 HG22 HE22 ' A' ' 27' ' ' GLN . 14.8 t -80.65 -12.12 59.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -143.06 154.21 43.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.2 p30 -63.59 -51.99 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 57.2 m -42.01 -40.78 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.482 HE22 HG22 ' A' ' 23' ' ' THR . 28.3 mt-30 -65.06 -55.49 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 15' ' ' CYS . 30.0 tp -57.1 -52.43 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -60.8 -26.52 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -81.3 -21.6 39.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.9 t60 -91.98 -41.54 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.21 -24.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -55.84 -32.57 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -58.26 -30.11 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 92.2 m-70 -82.7 -24.93 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 34.3 mtmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -21.92 32.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 53.8 m-85 -98.08 132.41 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -137.94 129.51 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.648 ' HA ' HD11 ' A' ' 28' ' ' LEU . 38.9 t -74.59 98.49 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.99 -25.11 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -55.3 -53.26 58.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -118.02 -39.35 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.14 14.53 3.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mtpp -66.46 179.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.55 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.0 mtm-85 -145.46 160.25 41.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.5 m-85 -158.34 152.7 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.467 HG22 HE22 ' A' ' 27' ' ' GLN . 12.2 t -83.33 -10.25 58.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.58 150.51 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.5 p30 -62.27 -49.33 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -45.01 -37.49 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.467 HE22 HG22 ' A' ' 23' ' ' THR . 29.1 mt-30 -68.15 -54.91 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 15' ' ' CYS . 41.9 tp -58.49 -55.08 39.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -58.48 -26.34 63.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -82.19 -23.61 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.546 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.5 t60 -89.24 -39.24 13.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -49.26 -23.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -57.03 -31.59 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.8 m -60.42 -22.49 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -93.81 -23.55 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 37.1 mtmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.563 0.697 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -18.37 37.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 59.9 m-85 -102.1 129.21 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -136.57 129.73 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.627 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.5 t -74.94 99.74 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -58.7 -25.5 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -55.35 -53.27 58.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.24 -39.49 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.98 15.91 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.5 mttt -67.13 -179.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.5 mtt180 -147.16 154.58 41.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 28' ' ' LEU . 8.4 m-85 -153.69 149.64 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 HE22 ' A' ' 27' ' ' GLN . 13.3 t -79.71 -11.13 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -140.23 153.71 46.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.9 p30 -65.58 -48.85 70.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' SER . 48.9 m -45.79 -38.49 7.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.417 HE22 HG22 ' A' ' 23' ' ' THR . 28.6 mt-30 -67.52 -54.77 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' A' ' 15' ' ' CYS . 31.9 tp -59.26 -56.64 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -56.9 -28.58 62.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.8 t -78.81 -26.59 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.583 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.7 t60 -85.59 -41.69 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -48.89 -23.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -57.17 -32.04 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 31' ' ' HIS . 7.1 m -58.88 -30.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.7 m-70 -78.61 -27.97 45.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 19.7 mtmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.512 0.672 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 -16.3 37.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 60.7 m-85 -106.14 137.13 44.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -144.28 128.88 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.634 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.2 t -74.52 101.56 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -60.42 -24.36 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.7 -52.54 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -118.14 -40.12 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.7 16.83 2.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.492 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 7.0 mtpp -67.22 -177.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 61.1 mtm-85 -147.61 158.54 44.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.6 m-85 -156.33 155.2 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.829 HG22 HE22 ' A' ' 27' ' ' GLN . 12.0 t -81.43 -12.29 58.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -144.08 167.93 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 9.1 p30 -73.63 -52.96 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -42.84 -36.83 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.829 HE22 HG22 ' A' ' 23' ' ' THR . 28.6 mt-30 -67.78 -55.24 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.634 HD11 ' HA ' ' A' ' 15' ' ' CYS . 30.9 tp -58.68 -55.27 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -55.17 -28.21 51.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -77.6 -29.35 51.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.4 t60 -84.34 -39.62 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -50.01 -25.87 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -57.69 -31.02 65.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.8 m -59.8 -28.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -78.85 -21.49 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 29.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -20.42 34.59 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.3 m-85 -103.63 137.89 41.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -143.52 129.53 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.8 t -74.17 104.55 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 2.0 mp0 -62.97 -24.62 67.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mt-10 -56.35 -53.33 58.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.49 -39.91 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.02 15.5 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.3 mtpt -65.44 178.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 79.4 mtm-85 -145.3 154.19 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 10.9 m-85 -153.18 152.75 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.409 HG22 HE22 ' A' ' 27' ' ' GLN . 15.4 t -81.62 -11.66 59.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.37 155.3 45.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.8 p30 -65.78 -47.29 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -45.91 -38.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.409 HE22 HG22 ' A' ' 23' ' ' THR . 28.3 mt-30 -67.83 -54.98 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.6 tp -58.12 -56.8 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -53.48 -30.36 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -77.85 -29.86 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.705 ' O ' HG22 ' A' ' 34' ' ' VAL . 16.8 t60 -81.52 -40.07 23.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -50.65 -24.92 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -58.69 -30.44 67.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.9 m -60.63 -27.64 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 83.5 m-70 -82.01 -28.19 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 54.6 mttp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.537 0.684 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -15.68 37.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.385 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 62.9 m-85 -107.92 140.94 40.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -145.92 129.77 17.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.641 ' HA ' HD11 ' A' ' 28' ' ' LEU . 30.9 t -75.31 97.11 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.81 -24.9 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.0 -52.75 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.74 -39.98 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.79 16.31 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mtpt -67.87 -178.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 26.8 mtm180 -146.7 159.17 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.7 m-85 -156.65 152.29 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.536 HG22 ' NE2' ' A' ' 27' ' ' GLN . 12.0 t -79.34 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.8 mm100 -144.94 153.89 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.4 p30 -63.38 -49.41 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 9.7 t -43.24 -38.16 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.536 ' NE2' HG22 ' A' ' 23' ' ' THR . 29.3 mt-30 -68.99 -54.77 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD11 ' HA ' ' A' ' 15' ' ' CYS . 34.5 tp -57.06 -52.9 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -59.13 -28.16 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -79.76 -21.89 43.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.3 t60 -90.68 -43.31 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -47.63 -23.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -55.85 -32.83 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 31' ' ' HIS . 7.7 m -58.63 -32.43 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -76.74 -23.49 53.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.856 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 36.0 mtmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 -12.74 33.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 64.7 m-85 -106.67 131.11 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -139.0 131.29 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.3 t -76.99 115.04 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -70.37 -25.67 63.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 14.0 mt-10 -55.35 -51.3 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.15 -38.8 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.41 17.15 3.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.3 mttm -65.5 -178.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 75.1 mtm-85 -146.46 153.65 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.0 m-85 -151.26 153.21 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.725 HG22 HE22 ' A' ' 27' ' ' GLN . 11.4 t -80.47 -10.31 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.8 161.0 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.5 p30 -68.74 -51.15 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 30' ' ' SER . 53.6 m -42.89 -37.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.725 HE22 HG22 ' A' ' 23' ' ' THR . 30.3 mt-30 -68.38 -54.52 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 15' ' ' CYS . 15.2 tp -58.23 -55.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.12 -27.52 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.0 t -81.54 -19.83 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.0 t60 -90.66 -43.27 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -48.06 -20.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -57.82 -32.83 67.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.0 m -59.11 -32.73 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 91.0 m-70 -74.56 -18.73 60.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 18.4 mtmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 -23.5 30.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' GLN . 51.1 m-85 -98.88 132.52 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.13 129.5 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.619 ' HA ' HD11 ' A' ' 28' ' ' LEU . 38.2 t -74.04 104.86 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -64.08 -23.42 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 10.7 mt-10 -57.06 -50.85 71.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.94 -39.08 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.98 14.03 3.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 21.0 mttm -64.22 -178.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 82.5 mtm-85 -147.32 159.84 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.2 m-85 -158.42 152.6 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' NE2' ' A' ' 27' ' ' GLN . 14.5 t -78.12 -15.98 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 4.8 mm100 -140.53 155.47 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -67.9 -36.27 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 m -55.41 -33.92 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.8 mt-30 -74.82 -50.57 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 15' ' ' CYS . 19.6 tp -59.56 -56.64 19.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -55.3 -28.59 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.0 t -78.05 -26.34 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.8 t60 -86.97 -39.63 15.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -50.87 -24.23 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 4.1 mtp-105 -59.61 -30.04 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' HIS . 16.1 m -60.9 -23.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 87.9 m-70 -84.74 -27.96 26.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 37.0 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 121.58 0.705 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.522 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -21.11 33.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 48.0 m-85 -98.36 128.59 44.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -136.04 129.93 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.7 t -73.29 95.52 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.22 -23.34 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 11.5 mt-10 -58.39 -52.88 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -117.06 -40.32 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 127.17 14.08 2.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.7 mttp -66.28 179.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 26.7 mtt180 -147.39 155.76 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 7.7 m-85 -153.73 151.22 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.453 HG22 HE22 ' A' ' 27' ' ' GLN . 13.4 t -81.92 -11.3 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.17 148.72 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.7 p30 -59.99 -52.28 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -42.33 -42.17 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.453 HE22 HG22 ' A' ' 23' ' ' THR . 28.8 mt-30 -62.44 -56.41 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.0 tp -57.52 -53.29 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.45 -26.14 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -82.2 -21.29 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.582 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.5 t60 -92.11 -41.06 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -48.65 -23.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -56.41 -32.07 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.8 m -59.82 -23.65 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 98.4 m-70 -94.51 -28.21 15.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 22' ' ' PHE . 19.3 mtmt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.84 -17.31 37.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 70.0 m-85 -107.85 133.09 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -140.56 128.23 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.606 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.5 t -72.43 103.42 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.97 -23.75 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.8 mt-10 -57.2 -51.6 68.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -119.61 -40.31 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.66 16.03 2.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 8.1 mtpp -64.94 -177.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 22.5 mtm180 -149.1 153.53 37.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.0 m-85 -152.98 154.18 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.422 HG22 ' NE2' ' A' ' 27' ' ' GLN . 7.0 t -81.55 -13.59 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.88 159.21 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.473 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 4.8 p30 -66.71 -51.07 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' SER . 33.5 m -42.55 -44.87 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 23' ' ' THR . 27.7 mt-30 -60.98 -55.62 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.8 tp -57.01 -55.71 31.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -58.44 -27.29 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' SER . 33.0 t -80.07 -21.55 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.3 t60 -92.2 -41.62 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.48 -25.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.68 -32.15 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.8 m -59.07 -25.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.5 m-70 -84.49 -24.65 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 54.2 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -17.01 37.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.8 m-85 -104.67 134.35 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -142.03 128.24 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.56 ' HA ' HD11 ' A' ' 28' ' ' LEU . 36.5 t -74.09 113.72 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -70.07 -24.29 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.477 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mt-10 -56.71 -50.94 70.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -119.74 -38.77 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 14.92 3.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.84 -179.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.511 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 27.2 mtt180 -148.23 151.53 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 28' ' ' LEU . 10.6 m-85 -148.29 154.38 39.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.503 HG22 ' NE2' ' A' ' 27' ' ' GLN . 13.2 t -80.55 -11.47 59.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -144.41 158.79 43.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.12 -51.94 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -41.81 -38.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.503 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.1 mt-30 -67.98 -54.55 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 15' ' ' CYS . 25.0 tp -58.13 -55.23 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -56.47 -29.15 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 t -78.16 -31.41 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.743 ' O ' HG22 ' A' ' 34' ' ' VAL . 15.2 t60 -79.4 -40.03 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -50.15 -25.27 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -58.17 -30.89 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.1 m -59.9 -29.97 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 87.8 m-70 -78.66 -25.5 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 72.5 mttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -14.41 35.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 69.6 m-85 -107.25 134.69 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -142.85 128.97 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.635 ' HA ' HD11 ' A' ' 28' ' ' LEU . 29.0 t -72.92 96.68 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.42 -24.16 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.9 mt-10 -57.19 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.33 -40.34 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.92 14.47 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 14.1 mttm -65.15 -178.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 74.2 mtm-85 -148.19 154.9 40.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 9.5 m-85 -153.68 150.84 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -82.75 -10.34 58.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -141.42 145.8 35.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 5.5 p30 -60.48 -48.97 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.6 m -45.3 -34.07 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -73.25 -54.06 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 15' ' ' CYS . 28.2 tp -57.16 -53.67 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -59.18 -28.21 66.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -79.03 -22.86 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.581 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.5 t60 -88.67 -42.68 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.406 HE21 HD11 ' A' ' 28' ' ' LEU . 64.5 mt-30 -50.49 -18.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.3 m -62.1 -31.56 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 81.4 m-70 -75.35 -20.81 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 44.5 mttp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.561 0.696 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.74 -18.7 36.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.509 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -106.81 133.76 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -141.93 129.26 21.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.3 t -74.61 111.81 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -69.36 -23.9 63.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.5 mt-10 -57.96 -51.06 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.48 -37.32 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.97 14.84 5.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -64.55 -177.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 70.1 mtm-85 -147.25 156.22 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 28' ' ' LEU . 12.5 m-85 -154.21 153.77 32.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -80.85 -13.87 58.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.493 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 6.5 mm100 -143.15 159.43 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -67.64 -49.93 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.7 m -42.35 -39.42 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -68.77 -54.45 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 15' ' ' CYS . 31.3 tp -58.15 -55.9 29.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -57.79 -27.22 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -81.6 -21.39 38.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.8 t60 -90.26 -41.43 11.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.53 -26.7 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.35 -32.55 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.4 m -57.18 -31.54 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 90.0 m-70 -77.26 -18.87 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 2.5 mtmp? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.86 -15.65 36.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.283 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 67.3 m-85 -105.87 136.69 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -143.24 127.2 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.9 t -73.15 100.45 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.44 -25.61 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -55.46 -53.94 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.41 -39.55 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.53 15.59 3.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.576 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.6 mttp -66.28 -176.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 10.3 mtt85 -150.24 153.85 36.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 28' ' ' LEU . 12.5 m-85 -151.91 150.45 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.639 HG22 HE22 ' A' ' 27' ' ' GLN . 9.0 t -78.68 -13.31 59.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -140.15 157.42 45.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.28 -50.31 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' SER . 14.5 t -44.06 -38.89 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.639 HE22 HG22 ' A' ' 23' ' ' THR . 29.6 mt-30 -66.96 -55.21 15.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 15' ' ' CYS . 33.2 tp -58.62 -55.18 38.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -58.74 -28.9 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -79.7 -21.68 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.576 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.5 t60 -90.18 -43.11 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -46.53 -24.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -53.65 -33.95 56.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.6 m -57.85 -28.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -84.26 -26.86 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -125.4 112.89 16.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t 42.82 42.32 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.24 -41.18 96.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -128.05 83.64 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.6 p -66.03 -48.23 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.34 89.0 0.16 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.5 m -131.12 113.03 13.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.49 134.28 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.38 147.0 38.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 24.1 mttm -114.36 127.43 26.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.8 -12.86 33.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 66.7 m-85 -116.42 130.92 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -139.8 128.97 23.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.625 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.8 t -73.89 101.62 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -60.43 -23.86 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.4 mt-10 -56.97 -51.98 67.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.19 -40.32 2.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.94 15.23 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 9.1 mtpt -64.45 -178.8 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.2 mtt180 -148.18 155.69 41.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CE1' HD13 ' A' ' 28' ' ' LEU . 4.0 m-85 -154.9 153.07 30.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.458 HG22 ' NE2' ' A' ' 27' ' ' GLN . 6.7 t -80.84 -11.13 59.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.0 mm100 -144.81 154.36 42.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -64.84 -46.87 80.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 75.8 m -46.46 -35.26 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.458 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.9 mt-30 -71.54 -53.9 12.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 15' ' ' CYS . 29.8 tp -57.88 -52.14 66.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -60.47 -25.9 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.5 t -81.96 -21.89 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.4 t60 -91.94 -41.1 10.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -47.63 -26.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -53.21 -33.25 52.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.2 m -57.83 -25.59 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.408 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 93.3 m-70 -88.35 -21.24 24.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p -83.87 44.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.18 100.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -115.96 73.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -142.84 140.69 18.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.9 8.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -53.15 121.57 7.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.28 67.37 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -166.58 137.45 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.5 m -87.67 -61.26 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 t -171.21 134.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -112.91 144.68 42.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.69 90.69 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -115.01 82.72 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.355 . . . . 0.0 110.821 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -82.65 88.52 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.37 -110.05 3.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -86.73 134.07 33.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.45 74.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.5 147.24 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 30.9 mttm -136.81 128.05 16.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.549 0.69 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.76 -18.09 37.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 54.5 m-85 -109.79 129.4 55.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -138.91 131.23 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.582 ' HA ' HD11 ' A' ' 28' ' ' LEU . 41.0 t -76.56 109.89 10.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -66.6 -26.93 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.4 mt-10 -54.22 -53.77 48.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.93 -38.44 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.23 17.52 3.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 23.1 mttm -65.83 -177.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 19.4 mtt180 -147.89 156.18 42.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 7.2 m-85 -155.25 154.24 31.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.412 HG22 ' NE2' ' A' ' 27' ' ' GLN . 6.2 t -84.87 -7.92 58.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -144.71 152.81 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.6 p30 -63.05 -51.2 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 30' ' ' SER . 20.2 m -44.79 -36.09 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.412 ' NE2' HG22 ' A' ' 23' ' ' THR . 27.1 mt-30 -67.49 -55.54 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 15' ' ' CYS . 26.5 tp -58.36 -55.26 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -59.16 -25.49 63.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 26' ' ' SER . 15.0 t -81.88 -22.45 36.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.7 t60 -91.48 -40.97 11.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.19 -22.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -56.63 -32.3 65.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -59.19 -25.15 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 93.2 m-70 -85.97 -27.27 24.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.1 p -85.44 41.0 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.09 -57.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.525 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -118.07 107.87 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 143.53 20.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 138.16 37.14 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p -44.16 141.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.05 -75.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 112.93 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 t -69.31 90.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -91.1 95.23 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.461 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 p -123.72 154.72 39.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 p -50.72 157.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.54 171.63 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -45.23 121.61 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.879 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -112.42 -48.18 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.57 80.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -83.27 151.64 25.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 0.0 110.807 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.95 -42.26 0.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -149.56 119.93 7.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 21.0 mtmt -138.08 123.3 12.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.54 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.5 Cg_endo -69.7 -13.45 34.83 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 60.3 m-85 -110.37 135.76 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -142.42 127.24 18.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HA ' HD11 ' A' ' 28' ' ' LEU . 21.9 t -72.17 94.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -54.47 -24.2 19.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.0 mt-10 -56.43 -51.8 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -119.62 -39.87 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 128.02 12.05 3.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 16.4 mtpt -62.93 -179.52 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.543 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 30.6 mtt85 -148.52 157.36 43.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.6 ' CE1' HD13 ' A' ' 28' ' ' LEU . 6.7 m-85 -154.62 152.99 30.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.731 HG22 HE22 ' A' ' 27' ' ' GLN . 8.8 t -79.49 -11.97 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.484 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.1 mm100 -143.9 156.51 44.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.23 -47.06 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 4.1 m -47.05 -34.49 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.731 HE22 HG22 ' A' ' 23' ' ' THR . 29.5 mt-30 -71.88 -53.99 11.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD11 ' HA ' ' A' ' 15' ' ' CYS . 40.3 tp -58.54 -52.94 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -58.13 -28.28 64.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -79.7 -23.86 42.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' O ' HG13 ' A' ' 34' ' ' VAL . 8.6 t60 -88.67 -41.56 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -48.59 -23.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -56.62 -32.12 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.2 m -58.83 -31.7 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 90.1 m-70 -79.89 -24.05 41.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.1 p -102.8 51.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.69 156.27 17.89 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -75.81 -19.15 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -127.35 157.75 71.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.534 0.683 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 135.84 31.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 t -80.55 -56.07 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.6 -153.75 16.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 138.32 37.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.33 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -123.35 76.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.0 t -133.54 40.95 3.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.123 -0.82 . . . . 0.0 112.519 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 m -128.41 172.37 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -42.81 125.99 3.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.18 142.83 12.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -82.72 168.06 17.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -49.15 116.78 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.83 79.78 0.27 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -123.57 141.88 51.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.888 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.93 105.39 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.3 120.78 18.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 20.0 mtmm -116.05 124.08 30.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.74 -24.47 29.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 48.5 m-85 -99.03 131.52 45.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -141.7 129.26 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 28' ' ' LEU . 39.1 t -74.48 110.86 9.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 2.1 mp0 -67.43 -26.16 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 17.2 mt-10 -56.07 -54.34 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.62 -39.74 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.1 17.97 3.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.3 mttt -65.42 -176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 73.3 mtm-85 -148.19 151.89 36.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 28' ' ' LEU . 13.3 m-85 -151.89 154.76 36.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.407 HG22 ' NE2' ' A' ' 27' ' ' GLN . 6.0 t -85.03 -11.64 54.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.132 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.55 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.39 147.83 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -56.22 -54.41 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.573 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 53.7 m -38.36 -39.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.8 mt-30 -67.39 -54.7 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 15' ' ' CYS . 38.5 tp -59.57 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -58.18 -26.46 62.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -83.02 -22.2 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.7 t60 -88.81 -42.93 11.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -47.15 -26.04 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -53.67 -33.64 56.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 31' ' ' HIS . 9.3 m -56.63 -32.78 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 95.5 m-70 -80.25 -26.87 38.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.0 p -83.87 38.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.48 -64.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.5 pt-20 -73.67 134.31 43.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.936 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' GLU . 40.6 tttt -34.31 135.94 0.36 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.585 0.707 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 136.61 33.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.264 . . . . 0.0 112.38 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.9 p -121.43 152.59 38.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.21 -173.24 3.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.04 5.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.1 m -103.13 158.23 16.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -90.34 160.41 16.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.495 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -100.94 152.04 21.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -130.16 84.45 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.39 103.5 0.26 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -131.37 95.4 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -144.32 108.38 4.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.43 -121.66 4.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.7 p -153.66 131.5 11.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.18 146.88 18.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -79.68 116.64 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' CD ' ' HB3' ' A' ' 21' ' ' ARG . 32.5 mttm -138.52 127.55 14.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -18.98 36.5 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 64.1 m-85 -110.74 132.72 53.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -141.41 128.41 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.605 ' HA ' HD11 ' A' ' 28' ' ' LEU . 47.7 t -73.34 104.79 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 3.5 mp0 -62.32 -25.67 68.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -54.95 -55.0 35.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -116.15 -38.99 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.43 16.51 3.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.46 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.573 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.3 mtpp -65.31 -178.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 27.9 mtt180 -148.41 156.3 42.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.3 m-85 -155.19 154.79 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.649 HG22 HE22 ' A' ' 27' ' ' GLN . 13.7 t -82.67 -12.13 57.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -141.98 158.89 43.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 4.6 p30 -68.04 -48.81 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 t -45.37 -38.08 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.649 HE22 HG22 ' A' ' 23' ' ' THR . 30.5 mt-30 -67.94 -54.59 17.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.0 tp -58.53 -55.27 37.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.42 -26.72 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -81.04 -23.83 38.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 5.6 t60 -88.75 -41.4 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -48.86 -23.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -57.04 -32.11 65.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.3 m -58.91 -28.13 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.6 -23.95 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -83.98 -40.83 17.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.32 -41.02 69.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -119.03 80.25 1.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.13 148.96 0.31 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 122.7 9.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -79.22 136.43 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 117.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 92.13 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.29 . . . . 0.0 112.296 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.9 p -109.08 -46.88 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -125.75 162.74 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.501 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -124.54 126.58 46.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -61.68 119.07 7.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.95 156.48 4.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -122.03 147.15 46.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.892 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 p -58.39 170.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 148.94 179.47 24.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 7' ' ' GLY . 58.5 m -34.55 115.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.834 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -33.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.427 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.53 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 43.0 mttm -129.71 116.38 18.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 110.951 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.76 -12.67 33.36 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 56.2 m-85 -110.23 128.5 55.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -138.16 127.51 24.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.8 t -73.86 107.13 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -64.44 -25.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -54.41 -53.34 55.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.93 -38.62 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.88 15.14 3.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -65.65 -178.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.482 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 13.3 mtt85 -149.29 153.17 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 28' ' ' LEU . 7.8 m-85 -149.78 158.76 44.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.7 HG22 HE22 ' A' ' 27' ' ' GLN . 7.3 t -86.67 -12.85 47.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -141.63 153.74 44.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 26' ' ' SER . 2.2 p30 -63.15 -52.23 63.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' SER . 24.5 t -42.62 -35.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.7 HE22 HG22 ' A' ' 23' ' ' THR . 29.1 mt-30 -71.26 -53.53 14.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 15' ' ' CYS . 24.9 tp -60.36 -54.27 47.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -60.84 -26.56 67.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' SER . 21.2 t -82.07 -21.76 36.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.3 t60 -89.68 -41.69 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -49.73 -18.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 7.2 mtp-105 -60.81 -30.93 70.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.1 m -61.14 -25.85 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -85.31 -28.15 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -81.61 -39.11 24.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.74 61.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.531 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -86.49 133.67 33.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.6 143.51 26.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 124.97 11.61 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 t -131.86 41.09 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.51 -174.53 14.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 172.48 12.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.697 2.264 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 45' ' ' SER . 96.8 p -100.4 94.4 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 46' ' ' GLY . 12.7 t -37.1 -46.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t 50.39 42.1 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -86.01 82.25 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.68 104.95 2.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -56.96 159.7 3.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 m -94.6 -53.15 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.25 72.68 0.6 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' GLY . 58.1 m -82.02 -51.51 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.842 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 8' ' ' SER . . . -36.12 115.39 0.24 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -57.81 135.48 56.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.907 0.384 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 23.0 mtmm -127.2 123.22 23.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.75 -24.57 29.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.389 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 72.6 m-85 -97.92 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -144.2 126.83 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.608 ' HA ' HD11 ' A' ' 28' ' ' LEU . 40.4 t -72.67 100.69 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.42 -24.81 63.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 12.0 mt-10 -55.88 -52.79 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.52 -39.63 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.18 14.37 3.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.587 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 10.0 mtpp -64.58 -177.71 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.6 mtm-85 -148.16 158.31 44.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 10.3 m-85 -156.18 152.18 27.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.482 HG22 HE22 ' A' ' 27' ' ' GLN . 14.8 t -80.65 -12.12 59.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -143.06 154.21 43.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.2 p30 -63.59 -51.99 62.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 57.2 m -42.01 -40.78 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.482 HE22 HG22 ' A' ' 23' ' ' THR . 28.3 mt-30 -65.06 -55.49 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 15' ' ' CYS . 30.0 tp -57.1 -52.43 65.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -60.8 -26.52 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.0 t -81.3 -21.6 39.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.608 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.9 t60 -91.98 -41.54 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.21 -24.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -55.84 -32.57 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -58.26 -30.11 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 92.2 m-70 -82.7 -24.93 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.5 p -84.37 42.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.46 -101.05 1.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -129.4 92.14 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -136.84 152.89 75.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.549 0.69 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 88.06 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -136.42 130.12 32.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.832 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.61 -100.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.554 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.323 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.0 p -111.25 174.85 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.7 m -122.78 41.64 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.468 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -168.94 153.56 5.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -147.1 155.65 42.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.74 119.37 0.63 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -60.88 88.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -136.57 123.84 21.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.84 157.92 30.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 m -105.92 116.76 32.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 148.96 148.86 4.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.96 146.2 47.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 34.3 mtmt -144.91 117.4 5.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -21.92 32.97 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 53.8 m-85 -98.08 132.41 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -137.94 129.51 28.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.648 ' HA ' HD11 ' A' ' 28' ' ' LEU . 38.9 t -74.59 98.49 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.99 -25.11 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -55.3 -53.26 58.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -118.02 -39.35 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.14 14.53 3.0 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 9.4 mtpp -66.46 179.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 48.0 mtm-85 -145.46 160.25 41.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.5 m-85 -158.34 152.7 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.467 HG22 HE22 ' A' ' 27' ' ' GLN . 12.2 t -83.33 -10.25 58.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.58 150.51 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.5 p30 -62.27 -49.33 76.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.5 m -45.01 -37.49 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.467 HE22 HG22 ' A' ' 23' ' ' THR . 29.1 mt-30 -68.15 -54.91 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 15' ' ' CYS . 41.9 tp -58.49 -55.08 39.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -58.48 -26.34 63.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -82.19 -23.61 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.546 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.5 t60 -89.24 -39.24 13.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -49.26 -23.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -57.03 -31.59 65.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.8 m -60.42 -22.49 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -93.81 -23.55 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.4 p -71.76 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.12 -60.42 6.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -133.37 156.48 47.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -91.84 150.98 41.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.77 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.8 m -82.36 91.01 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.65 146.43 4.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.25 3.68 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 p -64.55 114.33 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 93.7 p -161.56 141.06 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.473 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 1' ' ' GLY . 39.8 t -35.98 115.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -149.98 131.37 14.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.49 99.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -53.38 122.46 9.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.372 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -51.88 115.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.82 71.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -89.69 -50.16 6.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.936 0.398 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.93 130.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -93.12 134.64 35.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.946 0.403 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 37.1 mtmt -116.04 114.49 41.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -18.37 37.16 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 59.9 m-85 -102.1 129.21 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -136.57 129.73 31.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.627 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.5 t -74.94 99.74 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -58.7 -25.5 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 14.5 mt-10 -55.35 -53.27 58.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -117.24 -39.49 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.98 15.91 3.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.5 mttt -67.13 -179.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 32.5 mtt180 -147.16 154.58 41.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.539 ' CE1' HD13 ' A' ' 28' ' ' LEU . 8.4 m-85 -153.69 149.64 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 HE22 ' A' ' 27' ' ' GLN . 13.3 t -79.71 -11.13 59.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -140.23 153.71 46.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.528 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.9 p30 -65.58 -48.85 70.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' SER . 48.9 m -45.79 -38.49 7.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.417 HE22 HG22 ' A' ' 23' ' ' THR . 28.6 mt-30 -67.52 -54.77 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD11 ' HA ' ' A' ' 15' ' ' CYS . 31.9 tp -59.26 -56.64 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -56.9 -28.58 62.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 26' ' ' SER . 9.8 t -78.81 -26.59 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.583 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.7 t60 -85.59 -41.69 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -48.89 -23.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -57.17 -32.04 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 31' ' ' HIS . 7.1 m -58.88 -30.81 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.7 m-70 -78.61 -27.97 45.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 79.6 p -87.84 39.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.32 -49.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -82.74 40.88 0.7 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 148.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.926 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -177.4 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.2 m 56.62 44.66 23.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.99 95.95 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 106.9 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 t -121.8 93.24 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.2 m -58.17 149.61 23.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.473 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -73.18 158.19 35.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 4' ' ' GLY . 33.0 m -134.49 81.93 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.8 75.59 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -76.11 -46.58 28.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -109.24 87.83 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.92 153.76 37.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 t -127.41 120.96 29.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.64 -121.11 0.76 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -143.57 137.31 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 19.7 mtmm -144.64 121.91 6.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.512 0.672 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.76 -16.3 37.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 60.7 m-85 -106.14 137.13 44.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -144.28 128.88 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.634 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.2 t -74.52 101.56 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -60.42 -24.36 65.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -56.7 -52.54 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.3 p -118.14 -40.12 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.7 16.83 2.68 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' CD ' ' CE1' ' A' ' 31' ' ' HIS . 7.0 mtpp -67.22 -177.76 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.498 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 61.1 mtm-85 -147.61 158.54 44.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.6 m-85 -156.33 155.2 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.829 HG22 HE22 ' A' ' 27' ' ' GLN . 12.0 t -81.43 -12.29 58.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -144.08 167.93 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 9.1 p30 -73.63 -52.96 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -42.84 -36.83 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.829 HE22 HG22 ' A' ' 23' ' ' THR . 28.6 mt-30 -67.78 -55.24 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.634 HD11 ' HA ' ' A' ' 15' ' ' CYS . 30.9 tp -58.68 -55.27 37.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -55.17 -28.21 51.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -77.6 -29.35 51.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.4 t60 -84.34 -39.62 18.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -50.01 -25.87 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -57.69 -31.02 65.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.8 m -59.8 -28.7 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -78.85 -21.49 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.6 p -90.6 -46.48 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.69 -91.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -92.6 142.94 26.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -111.27 144.9 31.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.79 13.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.9 m -84.36 -43.64 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -51.8 -173.0 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.686 2.258 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.4 p -57.52 177.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 t -57.01 178.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.514 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -99.09 177.64 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -87.84 -45.4 10.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.87 -166.78 12.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -139.88 176.19 8.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -119.35 115.85 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.92 54.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 m -94.41 41.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 110.885 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.49 105.55 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -83.64 125.58 31.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 29.2 mttt -104.98 121.33 46.93 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.642 0.734 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.81 -20.42 34.59 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.3 m-85 -103.63 137.89 41.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -143.52 129.53 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.8 t -74.17 104.55 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 2.0 mp0 -62.97 -24.62 67.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 15.2 mt-10 -56.35 -53.33 58.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.49 -39.91 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.02 15.5 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.3 mtpt -65.44 178.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 79.4 mtm-85 -145.3 154.19 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 10.9 m-85 -153.18 152.75 31.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.409 HG22 HE22 ' A' ' 27' ' ' GLN . 15.4 t -81.62 -11.66 59.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.37 155.3 45.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.533 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 3.8 p30 -65.78 -47.29 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -45.91 -38.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.409 HE22 HG22 ' A' ' 23' ' ' THR . 28.3 mt-30 -67.83 -54.98 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.6 tp -58.12 -56.8 17.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -53.48 -30.36 40.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -77.85 -29.86 50.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.705 ' O ' HG22 ' A' ' 34' ' ' VAL . 16.8 t60 -81.52 -40.07 23.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -50.65 -24.92 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -58.69 -30.44 67.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.9 m -60.63 -27.64 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 83.5 m-70 -82.01 -28.19 32.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 p -86.76 39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.99 -54.7 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -109.57 128.92 55.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 0.0 110.823 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -121.12 151.46 55.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.741 2.294 . . . . 0.0 112.342 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -157.67 160.76 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 70.83 96.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.1 Cg_endo -69.78 136.53 33.17 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.724 2.283 . . . . 0.0 112.302 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.8 m -63.33 -45.81 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -133.13 82.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.462 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 t -67.42 109.82 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -80.06 142.99 34.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 65.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 33.5 m -109.15 -44.03 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 92.7 p -38.12 104.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 88.67 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 t 63.16 43.69 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.57 49.6 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.68 115.85 4.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 54.6 mttp -116.03 116.15 40.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.537 0.684 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.74 -15.68 37.27 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.385 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 62.9 m-85 -107.92 140.94 40.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -145.92 129.77 17.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.641 ' HA ' HD11 ' A' ' 28' ' ' LEU . 30.9 t -75.31 97.11 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -56.81 -24.9 54.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -56.0 -52.75 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -117.74 -39.98 3.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.79 16.31 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 15.6 mtpt -67.87 -178.88 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 26.8 mtm180 -146.7 159.17 43.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.7 m-85 -156.65 152.29 26.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.536 HG22 ' NE2' ' A' ' 27' ' ' GLN . 12.0 t -79.34 -12.37 59.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.8 mm100 -144.94 153.89 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.4 p30 -63.38 -49.41 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 9.7 t -43.24 -38.16 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.536 ' NE2' HG22 ' A' ' 23' ' ' THR . 29.3 mt-30 -68.99 -54.77 13.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD11 ' HA ' ' A' ' 15' ' ' CYS . 34.5 tp -57.06 -52.9 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -59.13 -28.16 66.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -79.76 -21.89 43.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.3 t60 -90.68 -43.31 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -47.63 -23.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -55.85 -32.83 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 31' ' ' HIS . 7.7 m -58.63 -32.43 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -76.74 -23.49 53.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -93.25 40.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.92 -38.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -83.52 -27.93 29.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.947 0.403 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -147.1 160.22 40.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.565 0.697 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.2 m -49.78 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.96 91.77 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.41 6.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -62.53 107.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -135.87 134.87 39.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.528 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -139.94 145.18 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -90.12 82.19 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.77 -73.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.419 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -132.34 145.43 51.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -97.39 -55.7 2.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.19 140.49 7.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.436 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -120.26 147.9 44.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.21 -170.47 17.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -154.3 127.32 8.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 36.0 mtmt -134.43 114.08 12.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.8 -12.74 33.44 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 24' ' ' GLN . 64.7 m-85 -106.67 131.11 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -139.0 131.29 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HA ' HD11 ' A' ' 28' ' ' LEU . 48.3 t -76.99 115.04 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -70.37 -25.67 63.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 14.0 mt-10 -55.35 -51.3 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.15 -38.8 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 122.41 17.15 3.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.3 mttm -65.5 -178.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 75.1 mtm-85 -146.46 153.65 40.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 13.0 m-85 -151.26 153.21 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.725 HG22 HE22 ' A' ' 27' ' ' GLN . 11.4 t -80.47 -10.31 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' HA ' ' CE1' ' A' ' 13' ' ' PHE . 6.4 mm100 -145.8 161.0 40.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.5 p30 -68.74 -51.15 44.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 30' ' ' SER . 53.6 m -42.89 -37.83 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.725 HE22 HG22 ' A' ' 23' ' ' THR . 30.3 mt-30 -68.38 -54.52 16.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 15' ' ' CYS . 15.2 tp -58.23 -55.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.12 -27.52 65.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.0 t -81.54 -19.83 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.0 t60 -90.66 -43.27 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -48.06 -20.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -57.82 -32.83 67.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 31' ' ' HIS . 6.0 m -59.11 -32.73 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 91.0 m-70 -74.56 -18.73 60.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.7 p -98.1 38.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.02 -48.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -137.46 130.93 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 29.0 ttpt -88.85 139.53 29.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.522 0.677 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.1 Cg_endo -69.75 166.52 27.3 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.38 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -85.18 163.43 18.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.04 -157.19 29.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.44 2.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.0 m -73.47 133.4 43.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.5 p -79.9 -31.16 40.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.504 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -149.45 156.09 41.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -144.5 163.61 33.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.47 -154.83 9.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.8 p -95.88 156.96 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -69.93 -46.35 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.43 155.43 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 m -107.45 133.57 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.13 175.35 46.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.28 144.2 43.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 22' ' ' PHE . 18.4 mtmm -140.55 120.05 8.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.79 -23.5 30.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' GLN . 51.1 m-85 -98.88 132.52 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.13 129.5 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.619 ' HA ' HD11 ' A' ' 28' ' ' LEU . 38.2 t -74.04 104.86 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -64.08 -23.42 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 10.7 mt-10 -57.06 -50.85 71.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.94 -39.08 2.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 125.98 14.03 3.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 21.0 mttm -64.22 -178.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 82.5 mtm-85 -147.32 159.84 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 8.2 m-85 -158.42 152.6 24.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.457 HG22 ' NE2' ' A' ' 27' ' ' GLN . 14.5 t -78.12 -15.98 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 4.8 mm100 -140.53 155.47 46.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -67.9 -36.27 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 m -55.41 -33.92 63.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.8 mt-30 -74.82 -50.57 16.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD11 ' HA ' ' A' ' 15' ' ' CYS . 19.6 tp -59.56 -56.64 19.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -55.3 -28.59 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.0 t -78.05 -26.34 48.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.725 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.8 t60 -86.97 -39.63 15.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -50.87 -24.23 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 4.1 mtp-105 -59.61 -30.04 68.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 31' ' ' HIS . 16.1 m -60.9 -23.94 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 87.9 m-70 -84.74 -27.96 26.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -80.86 47.59 1.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.47 -42.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -62.72 -20.84 65.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -108.91 140.96 22.38 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.552 0.691 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -31.82 19.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -159.95 168.58 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.57 95.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 136.73 33.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.335 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.6 t -74.31 108.74 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.7 p -117.21 155.27 29.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -91.66 84.16 5.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -160.48 122.72 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.51 -71.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -91.84 130.09 37.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -45.28 -51.61 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.96 -144.08 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.2 m -113.12 135.25 54.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.41 -118.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -129.55 140.92 51.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 37.0 mttt -142.02 113.76 6.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.522 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.81 -21.11 33.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 25' ' ' ASN . 48.0 m-85 -98.36 128.59 44.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -136.04 129.93 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' HA ' HD11 ' A' ' 28' ' ' LEU . 37.7 t -73.29 95.52 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.22 -23.34 35.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 11.5 mt-10 -58.39 -52.88 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -117.06 -40.32 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 127.17 14.08 2.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 15.7 mttp -66.28 179.85 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 26.7 mtt180 -147.39 155.76 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 28' ' ' LEU . 7.7 m-85 -153.73 151.22 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.453 HG22 HE22 ' A' ' 27' ' ' GLN . 13.4 t -81.92 -11.3 58.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.17 148.72 42.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 1.7 p30 -59.99 -52.28 66.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.1 t -42.33 -42.17 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.453 HE22 HG22 ' A' ' 23' ' ' THR . 28.8 mt-30 -62.44 -56.41 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.0 tp -57.52 -53.29 59.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.45 -26.14 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.1 t -82.2 -21.29 36.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.582 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.5 t60 -92.11 -41.06 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -48.65 -23.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -56.41 -32.07 64.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.8 m -59.82 -23.65 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 98.4 m-70 -94.51 -28.21 15.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.7 p -71.54 -28.13 63.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.6 40.86 2.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -162.58 122.17 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.61 140.25 97.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 164.82 33.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -113.45 79.9 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.75 -158.0 27.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 119.71 6.61 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -118.34 89.61 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 m -40.03 -47.59 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.523 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -107.94 88.54 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 m -83.15 150.27 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.16 -154.26 8.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -144.49 168.18 20.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -146.02 129.38 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.2 118.47 1.83 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.5 t -125.82 83.51 2.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.91 154.67 6.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.469 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -75.66 156.46 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 22' ' ' PHE . 19.3 mtmt -148.28 125.26 5.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.84 -17.31 37.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 70.0 m-85 -107.85 133.09 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -140.56 128.23 21.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.606 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.5 t -72.43 103.42 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.97 -23.75 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' HB2' ' A' ' 35' ' ' HIS . 15.8 mt-10 -57.2 -51.6 68.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -119.61 -40.31 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.66 16.03 2.56 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 8.1 mtpp -64.94 -177.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 22.5 mtm180 -149.1 153.53 37.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.526 ' CE1' HD13 ' A' ' 28' ' ' LEU . 9.0 m-85 -152.98 154.18 34.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.422 HG22 ' NE2' ' A' ' 27' ' ' GLN . 7.0 t -81.55 -13.59 57.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.88 159.21 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.473 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 4.8 p30 -66.71 -51.07 60.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' SER . 33.5 m -42.55 -44.87 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 23' ' ' THR . 27.7 mt-30 -60.98 -55.62 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 15' ' ' CYS . 32.8 tp -57.01 -55.71 31.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -58.44 -27.29 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' SER . 33.0 t -80.07 -21.55 43.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 6.3 t60 -92.2 -41.62 10.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.48 -25.24 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.68 -32.15 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.8 m -59.07 -25.64 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' HB2' ' CD ' ' A' ' 17' ' ' GLU . 88.5 m-70 -84.49 -24.65 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.4 p -91.02 40.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.83 32.68 0.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -173.21 152.99 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -141.84 145.48 36.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.691 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 88.79 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.3 p -88.02 126.99 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.93 -126.64 2.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.43 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.8 t -68.01 92.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -107.42 133.65 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.468 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -121.52 157.03 31.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -50.7 164.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.54 -156.16 7.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -121.08 118.64 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -134.33 112.44 11.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 113.3 -84.97 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' GLY . 55.3 p 37.1 44.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.8 -163.45 26.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -142.03 149.44 39.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 54.2 mttt -142.73 119.94 7.03 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -17.01 37.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 60.8 m-85 -104.67 134.35 47.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tttt -142.03 128.24 19.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.56 ' HA ' HD11 ' A' ' 28' ' ' LEU . 36.5 t -74.09 113.72 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -70.07 -24.29 63.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' CB ' ' CD2' ' A' ' 35' ' ' HIS . 14.7 mt-10 -56.71 -50.94 70.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.6 p -119.74 -38.77 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 123.14 14.92 3.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.84 -179.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.511 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 27.2 mtt180 -148.23 151.53 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 28' ' ' LEU . 10.6 m-85 -148.29 154.38 39.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.503 HG22 ' NE2' ' A' ' 27' ' ' GLN . 13.2 t -80.55 -11.47 59.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -144.41 158.79 43.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.12 -51.94 47.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -41.81 -38.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.503 ' NE2' HG22 ' A' ' 23' ' ' THR . 28.1 mt-30 -67.98 -54.55 17.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD11 ' HA ' ' A' ' 15' ' ' CYS . 25.0 tp -58.13 -55.23 37.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -56.47 -29.15 61.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.3 t -78.16 -31.41 49.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.743 ' O ' HG22 ' A' ' 34' ' ' VAL . 15.2 t60 -79.4 -40.03 31.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -50.15 -25.27 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -58.17 -30.89 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 31' ' ' HIS . 18.1 m -59.9 -29.97 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' CD2' ' CB ' ' A' ' 17' ' ' GLU . 87.8 m-70 -78.66 -25.5 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.6 p -95.95 41.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.2 -80.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -83.34 173.53 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -126.57 150.92 72.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 142.08 47.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -56.83 -51.03 70.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.41 166.02 12.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 83.58 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 m -76.11 -57.28 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.9 p -129.11 72.97 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -61.68 132.28 52.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.807 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.3 t -163.24 147.17 10.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.18 161.98 20.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -127.5 143.54 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.816 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -105.57 146.82 29.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -87.61 71.96 2.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 7' ' ' GLY . 47.8 t -36.16 137.38 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.89 156.09 8.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -100.76 123.21 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.959 0.409 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' CA ' ' A' ' 22' ' ' PHE . 72.5 mttt -126.0 120.37 24.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.8 -14.41 35.92 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.645 2.23 . . . . 0.0 112.347 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 69.6 m-85 -107.25 134.69 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -142.85 128.97 19.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.635 ' HA ' HD11 ' A' ' 28' ' ' LEU . 29.0 t -72.92 96.68 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.42 -24.16 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.9 mt-10 -57.19 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -118.33 -40.34 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 126.92 14.47 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 14.1 mttm -65.15 -178.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.342 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 74.2 mtm-85 -148.19 154.9 40.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 21' ' ' ARG . 9.5 m-85 -153.68 150.84 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.0 t -82.75 -10.34 58.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -141.42 145.8 35.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 5.5 p30 -60.48 -48.97 79.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.6 m -45.3 -34.07 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -73.25 -54.06 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.635 HD11 ' HA ' ' A' ' 15' ' ' CYS . 28.2 tp -57.16 -53.67 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -59.18 -28.21 66.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 m -79.03 -22.86 44.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.581 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.5 t60 -88.67 -42.68 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.406 HE21 HD11 ' A' ' 28' ' ' LEU . 64.5 mt-30 -50.49 -18.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.3 m -62.1 -31.56 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 81.4 m-70 -75.35 -20.81 58.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.3 p -95.53 37.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.18 -119.24 2.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -140.99 105.59 4.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.64 141.67 15.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 136.28 32.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.3 p -66.46 168.53 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.43 -93.55 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.28 14.7 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.343 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 t -106.5 136.59 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.3 m -45.76 171.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.157 -0.801 . . . . 0.0 112.457 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -155.02 114.8 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -83.46 172.0 12.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.66 88.14 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -111.4 -44.48 3.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -67.99 -56.52 8.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.06 107.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 t -49.07 165.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.24 161.65 11.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -129.96 129.5 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.919 0.39 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 21' ' ' ARG . 44.5 mttp -141.24 121.16 8.44 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.561 0.696 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.74 -18.7 36.96 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.509 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 69.6 m-85 -106.81 133.76 50.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -141.93 129.26 21.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.57 ' HA ' HD11 ' A' ' 28' ' ' LEU . 34.3 t -74.61 111.81 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -69.36 -23.9 63.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 13.5 mt-10 -57.96 -51.06 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.48 -37.32 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 119.97 14.84 5.43 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 16.2 mttp -64.55 -177.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 70.1 mtm-85 -147.25 156.22 42.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' ' 28' ' ' LEU . 12.5 m-85 -154.21 153.77 32.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.7 t -80.85 -13.87 58.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.493 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 6.5 mm100 -143.15 159.43 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -67.64 -49.93 60.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.7 m -42.35 -39.42 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -68.77 -54.45 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 15' ' ' CYS . 31.3 tp -58.15 -55.9 29.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -57.79 -27.22 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 t -81.6 -21.39 38.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 8.8 t60 -90.26 -41.43 11.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -48.53 -26.7 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.35 -32.55 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.4 m -57.18 -31.54 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 17' ' ' GLU . 90.0 m-70 -77.26 -18.87 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -92.5 40.43 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.71 -45.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -150.4 140.67 22.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.946 0.403 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -114.29 141.12 25.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 163.07 39.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -119.4 149.49 41.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.426 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . -152.93 106.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.78 -1.01 7.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -66.81 -53.09 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.9 p -70.35 136.65 49.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -118.67 173.72 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.38 . . . . 0.0 110.826 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t 57.34 41.99 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.66 -158.83 31.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -119.3 77.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.857 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -129.76 84.86 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.8 -39.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 t -158.3 122.89 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.13 118.76 3.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -130.67 156.04 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HD2' ' CB ' ' A' ' 21' ' ' ARG . 2.5 mtmp? -113.7 121.67 36.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.86 -15.65 36.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.283 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 67.3 m-85 -105.87 136.69 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -143.24 127.2 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.9 t -73.15 100.45 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.44 -25.61 62.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -55.46 -53.94 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.41 -39.55 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 124.53 15.59 3.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.576 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 18.6 mttp -66.28 -176.21 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' CB ' ' HD2' ' A' ' 11' ' ' LYS . 10.3 mtt85 -150.24 153.85 36.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 28' ' ' LEU . 12.5 m-85 -151.91 150.45 30.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.639 HG22 HE22 ' A' ' 27' ' ' GLN . 9.0 t -78.68 -13.31 59.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -140.15 157.42 45.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.8 p30 -67.28 -50.31 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 30' ' ' SER . 14.5 t -44.06 -38.89 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.639 HE22 HG22 ' A' ' 23' ' ' THR . 29.6 mt-30 -66.96 -55.21 15.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' A' ' 15' ' ' CYS . 33.2 tp -58.62 -55.18 38.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -58.74 -28.9 66.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 26' ' ' SER . 12.6 t -79.7 -21.68 44.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.576 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 6.5 t60 -90.18 -43.11 10.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -46.53 -24.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -53.65 -33.95 56.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 31' ' ' HIS . 5.6 m -57.85 -28.34 32.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -84.26 -26.86 28.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -85.09 38.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.06 -48.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -93.05 145.97 23.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -119.85 141.26 30.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.573 0.702 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.35 46.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.7 p -66.62 102.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.52 162.24 34.27 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.0 Cg_endo -69.71 2.77 3.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' PRO . 14.2 m -34.35 121.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 t -48.08 169.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.495 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_