data_2elw_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 2elw _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 ' 10' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -131.97 115.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 t -44.89 156.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -107.52 -31.82 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 56.6 m-85 -71.12 -56.8 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.5 -21.0 22.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 61.47 44.32 9.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -100.58 179.16 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -108.77 136.52 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -135.26 148.44 49.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -89.6 -59.01 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -93.92 128.26 40.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.3 p -59.63 -40.42 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 31.4 mmtp -48.79 -50.77 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 24' ' ' ASN . 28.7 t-20 -59.1 -42.7 91.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.5 tp -55.4 -62.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 mt -40.73 -57.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.21 -42.38 73.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -59.25 -42.7 91.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 33' ' ' HIS . 65.4 mt -53.09 -59.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -70.94 -11.86 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.61 -51.21 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.5 mmm -111.82 -39.62 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 12.1 m-70 -86.84 55.24 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.13 121.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 10.6 mtp-105 -84.23 23.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.48 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 65.3 m-85 -123.8 -57.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -99.31 -7.63 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 61.93 47.36 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -102.5 176.63 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -115.95 137.01 52.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -133.65 169.15 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 p -100.47 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.51 138.08 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 23' ' ' LYS . 3.1 p -62.27 -40.78 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' HG11 ' A' ' 22' ' ' VAL . 1.8 mptm? -47.29 -58.82 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -61.56 -41.42 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -52.08 -52.92 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 HG21 ' NH2' ' A' ' 30' ' ' ARG . 25.4 mt -47.37 -52.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -46.97 -49.91 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -55.83 -44.12 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' HIS . 40.8 mt -54.59 -58.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' NH2' HG21 ' A' ' 26' ' ' ILE . 69.6 mtm180 -62.22 -17.52 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -57.0 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mmm -96.89 -48.96 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 4.9 m-70 -97.75 59.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -135.27 136.04 41.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.13 173.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -110.74 -39.81 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -76.17 -57.45 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -93.26 -14.46 26.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 53.14 47.53 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -83.86 -179.59 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -118.29 131.09 56.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.83 122.09 17.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 p -56.0 -65.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.01 114.39 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.0 p -46.98 -45.39 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 12.8 mptt -38.39 -40.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -38.96 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' VAL . 29.9 tp -55.28 -58.43 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -46.23 -49.75 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -60.51 -47.29 86.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.75 -51.05 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' HIS . 28.8 mt -56.53 -21.02 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -91.87 -12.72 32.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.06 -57.12 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mmm -76.75 -48.96 17.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 29' ' ' ILE . 3.7 m-70 -114.9 51.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -131.26 136.77 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.82 174.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -111.01 -43.67 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 59.4 m-85 -73.06 -61.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -88.19 -17.11 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp 56.5 49.52 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -92.45 -177.55 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.25 132.3 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.82 131.29 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -62.07 -70.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -87.92 117.87 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 23' ' ' LYS . 1.8 p -45.45 -30.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 22' ' ' VAL . 10.2 mptt -50.21 -38.32 39.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.67 -22.26 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -75.38 -56.46 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mp -51.36 -44.6 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -71.89 -36.09 69.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' ASP . 42.1 t60 -60.13 -52.18 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' HIS . 96.7 mt -43.02 -56.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -64.63 -19.19 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' HIS . 10.2 t70 -72.91 -49.81 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.2 mmm -111.98 -48.91 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 1.8 m-70 -91.99 57.01 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -93.15 133.79 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.68 177.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -113.08 -43.82 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 57.1 m-85 -76.21 -62.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.3 -7.36 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 43.92 54.72 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -93.07 174.54 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -103.17 138.64 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.492 ' OH ' ' CG ' ' A' ' 28' ' ' HIS . 16.6 m-85 -138.42 167.53 21.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -90.9 -60.32 1.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.86 177.25 4.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 2.6 p -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.55 -32.31 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -76.19 -33.21 59.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.93 -60.23 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.558 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 46.8 mt -40.15 -44.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -58.62 -49.21 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CG ' ' OH ' ' A' ' 19' ' ' TYR . 10.4 t60 -52.04 -38.23 56.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.427 ' CD1' HD11 ' A' ' 25' ' ' LEU . 28.8 mt -71.78 -27.88 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -83.54 -11.66 57.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.88 -57.01 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtp -83.56 -48.02 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 50.8 m-70 -91.86 54.62 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.6 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -96.0 147.7 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.09 123.49 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.1 ptp180 -85.04 22.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 13' ' ' ARG . 37.3 m-85 -125.02 -52.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 -5.85 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm 60.26 51.11 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -98.82 175.67 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -114.63 129.81 56.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -139.17 114.17 9.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -83.56 38.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -174.79 110.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.5 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 7.9 p -54.82 -50.28 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 4.1 mptt -48.3 -48.22 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.57 -39.16 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -58.0 -57.05 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 34.9 mt -45.49 -47.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -53.74 -58.38 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -43.73 -63.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 47.7 mt -37.84 -65.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.54 -16.63 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 19.6 t70 -74.02 -42.67 59.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.0 mtp -108.46 -49.1 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' ILE . 12.0 m-70 -69.78 -42.51 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . 2.0 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -121.79 116.21 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -47.53 123.91 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -85.41 23.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.7 m-85 -123.56 -50.32 1.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -111.1 -4.77 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.05 49.92 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -102.11 176.27 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -116.96 130.54 56.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -138.85 110.73 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -45.11 -64.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' ND2' ' A' ' 24' ' ' ASN . 7.6 m-20 -97.02 134.83 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.8 p -61.05 -42.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 15.2 mtpt -38.67 -47.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 21' ' ' ASP . 19.8 m-80 -66.6 -39.81 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' VAL . 61.3 tp -50.6 -60.98 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mp -43.02 -60.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HA ' ' CG ' ' A' ' 30' ' ' ARG . 29.9 mtpp -49.59 -38.83 33.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -67.89 -35.34 78.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 74.9 mt -74.67 -43.07 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' CG ' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -72.92 -18.64 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -95.24 -46.02 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 mtp -94.06 -44.15 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 14' ' ' PHE . 82.6 m-70 -96.6 59.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 8.3 p-80 -110.21 137.27 48.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -71.33 122.92 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -84.14 33.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CB ' ' NE2' ' A' ' 33' ' ' HIS . 21.9 m-85 -135.05 -45.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 p -116.45 -7.67 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 62.67 47.41 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -105.58 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -122.39 138.89 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.5 m-85 -137.67 115.97 11.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' TYR . 13.4 p -36.85 -59.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -105.35 152.0 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 23' ' ' LYS . 8.8 p -75.05 -38.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' N ' HG12 ' A' ' 22' ' ' VAL . 16.2 mtpp -44.35 -42.9 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -37.39 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.05 -61.8 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.77 -55.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -60.9 -45.33 95.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -49.47 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.433 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 84.7 mt -37.81 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -63.51 -16.12 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.5 t70 -67.43 -46.5 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.4 mmm -111.86 -48.82 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 14.0 m-70 -64.57 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.818 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 26.8 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.842 0.354 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -116.93 142.42 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -63.01 171.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -110.27 -46.14 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.5 -62.19 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -85.81 -14.31 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 49.84 50.85 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -91.77 179.03 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -110.72 119.79 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.38 153.24 40.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -63.28 -58.69 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.04 178.62 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 1.9 p -81.46 -33.77 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -49.35 48.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.8 -39.92 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.96 -55.68 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.06 -56.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -52.7 -48.25 66.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ASP . 10.9 t60 -55.81 -50.39 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' HIS . 69.3 mt -38.83 -51.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.9 -26.6 62.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' HIS . 17.4 t0 -58.19 -51.12 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mtp -111.99 -48.73 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ILE . 2.5 m-70 -90.5 56.49 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -106.26 146.19 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.99 125.48 26.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -86.42 28.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -127.69 -45.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -122.75 5.2 9.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm 59.04 54.27 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.554 ' HG3' ' CE1' ' A' ' 28' ' ' HIS . 8.3 mmtp -89.53 171.17 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -120.45 121.01 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 28' ' ' HIS . 35.9 m-85 -137.31 143.53 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -83.41 -60.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.86 116.19 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 5.2 p -43.11 -47.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.52 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 58.8 mmtt -40.53 -36.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.08 -36.89 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' VAL . 24.5 tp -56.63 -58.76 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -47.79 -43.76 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -67.93 -45.36 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 4.6 t60 -48.18 -56.06 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 33' ' ' HIS . 46.8 mt -39.31 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -63.9 -12.9 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' HIS . 6.9 t0 -76.8 -46.75 23.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 42.4 mtp -106.26 -48.85 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ILE . 11.3 m-70 -67.25 -61.02 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -134.53 139.77 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.79 172.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -111.4 -43.45 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -66.62 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.22 -11.29 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp 49.17 52.92 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -97.9 167.4 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -103.27 139.54 38.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.65 130.88 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -63.7 -53.79 45.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.73 122.94 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.1 p -52.55 -44.1 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 7.8 mtpm? -40.78 -39.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -69.16 -39.28 78.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' VAL . 53.8 tp -55.72 -59.48 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -43.49 -56.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -59.62 -42.65 93.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' ASP . 12.5 t60 -53.74 -58.04 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' HIS . 49.3 mt -38.14 -59.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -65.9 -24.61 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' HIS . 27.0 t70 -69.25 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mtp -97.57 -48.28 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 29' ' ' ILE . 7.8 m-70 -97.27 59.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -101.67 121.22 41.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -54.74 127.5 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -82.8 1.13 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 42.9 m-85 -99.25 -60.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -92.67 -2.78 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.61 43.77 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -99.3 178.46 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -122.57 133.3 54.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.46 147.31 52.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -75.79 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.62 137.39 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 7.1 p -62.75 -50.49 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -48.94 -34.7 13.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.29 -34.73 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.16 -58.17 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -38.84 -49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -65.68 -47.2 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -45.63 -50.33 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 23.1 mt -55.56 -31.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -80.3 -10.94 59.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -55.32 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mmm -84.97 -45.38 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 29' ' ' ILE . 51.5 m-70 -95.15 56.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -111.21 138.72 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.02 123.4 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -85.18 31.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.425 ' CE1' HG21 ' A' ' 29' ' ' ILE . 88.3 m-85 -134.33 -47.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -120.88 12.17 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 48.32 45.28 20.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -98.89 171.42 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -118.68 145.22 45.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -137.18 154.41 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 p -61.52 -57.66 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.39 162.48 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.6 p -63.62 -41.63 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 44.0 mttt -48.35 -45.5 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -67.82 -41.86 82.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -53.8 -61.11 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 98.6 mt -41.22 -58.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -46.62 -47.22 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 13.1 t60 -61.75 -29.2 69.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.425 HG21 ' CE1' ' A' ' 14' ' ' PHE . 34.6 mt -80.67 -29.16 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -94.94 -6.71 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.38 -56.54 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 32' ' ' MET . 2.7 mpp? -92.41 -48.56 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -84.49 51.59 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -109.6 132.84 53.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.41 174.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -113.5 -46.79 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CD1' ' CB ' ' A' ' 33' ' ' HIS . 59.6 m-85 -67.22 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 p -90.91 -7.11 53.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 44.27 52.08 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -93.26 178.04 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -116.78 137.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.25 166.45 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.1 t -70.46 -53.4 16.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.52 166.29 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.415 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 2.8 p -71.42 -38.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 8.0 mmpt? -50.31 -50.23 51.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -62.15 -41.71 98.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.15 -58.71 6.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -41.33 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.0 -46.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -56.73 -49.19 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' HIS . 91.7 mt -45.68 -52.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -71.17 -19.29 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.09 -43.55 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.8 mtp -112.05 -49.03 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.595 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . 2.5 m-70 -96.73 58.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -122.09 146.7 46.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.83 173.04 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -109.11 -40.22 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -77.06 -60.89 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 p -87.4 -12.62 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt 51.09 50.37 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -96.51 152.2 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 133.67 33.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -128.21 166.14 19.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -91.93 -51.84 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.93 167.59 10.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.53 -37.76 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -58.66 -45.51 89.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -64.52 -40.95 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.65 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.8 mt -38.8 -49.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.67 -47.76 76.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.4 t60 -53.87 -53.91 45.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' HIS . 75.4 mt -37.64 -53.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -70.77 -28.08 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.3 t70 -59.85 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.3 mmm -110.44 -48.19 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.0 m-70 -93.28 57.85 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -108.88 131.42 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.1 t -47.07 173.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -106.75 -42.8 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.73 -66.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' LYS . 16.2 p -84.2 -1.51 55.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' CYS . 16.9 mttp 36.94 50.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -89.34 174.95 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -106.57 133.05 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.3 m-85 -138.21 112.78 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' TYR . 21.9 t -37.13 -63.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.423 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 37.6 t70 -99.82 171.59 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 23' ' ' LYS . 1.9 p -95.67 -32.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 22' ' ' VAL . 43.7 mmtm -49.62 -39.34 35.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 21' ' ' ASP . 6.4 p30 -74.69 -33.15 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -57.84 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -43.63 -47.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.78 -37.32 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' ASP . 20.1 t60 -59.64 -57.46 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' HIS . 74.5 mt -36.94 -54.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -72.14 -26.95 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' HIS . 9.0 t0 -62.73 -47.98 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 94.5 mmm -108.29 -47.7 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.8 m-70 -96.28 59.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -133.74 133.89 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.56 174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -113.01 -40.73 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -72.3 -61.07 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.406 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 23.6 p -89.97 -9.14 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER 48.23 51.81 14.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -89.51 176.06 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -111.21 133.13 53.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -133.49 166.75 21.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -80.03 -59.01 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -121.72 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 p -74.66 -28.7 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -63.58 -36.87 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -78.9 -33.49 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.0 tp -66.01 -50.81 62.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.45 -56.32 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -45.93 -40.4 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 6.4 t60 -65.67 -56.14 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' HIS . 73.1 mt -39.72 -57.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -64.69 -23.57 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 11.5 t70 -70.25 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.9 mmm -97.28 -48.82 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.8 m-70 -96.28 59.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.738 . . . . 0.0 110.846 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.77 131.42 53.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -53.81 169.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -107.46 -46.69 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 76.7 m-85 -66.21 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 p -81.16 -21.11 39.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 58.66 46.99 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -90.38 176.04 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -116.25 129.07 56.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.45 168.29 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -76.08 -57.99 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.67 169.93 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.13 -33.01 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -52.25 -48.22 65.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.94 -43.72 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.1 tp -52.51 -60.05 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.09 -55.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -55.44 -43.68 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.8 t60 -55.29 -55.68 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' HIS . 97.9 mt -36.48 -68.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.49 -18.72 62.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' HIS . 8.8 t0 -64.47 -46.37 83.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.5 mmm -111.97 -49.15 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 15.7 m-70 -63.9 -44.22 93.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -98.67 121.98 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -45.6 164.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -109.61 -36.36 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 99.0 m-85 -70.79 -57.97 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 p -89.73 -22.61 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.45 47.63 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -107.41 131.62 54.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -128.91 148.12 50.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -68.51 -60.13 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.17 178.3 4.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.1 p -91.71 -42.2 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.6 mppt? -47.4 -42.82 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -68.55 -41.52 79.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.6 tp -56.74 -56.91 15.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.1 mt -42.72 -57.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -50.92 -43.12 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -62.03 -51.42 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 33' ' ' HIS . 42.9 mt -38.48 -53.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -70.3 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.31 -56.13 6.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 36.5 mmm -99.71 -49.06 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.1 m-70 -93.75 58.69 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.864 0.364 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -129.69 103.64 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.04 123.82 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -84.72 24.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m-85 -128.17 -51.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -105.94 -2.23 23.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 16' ' ' LYS . 4.2 mmmp? 54.85 47.18 22.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.28 178.35 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.88 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.428 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 15.3 m-85 -138.31 111.03 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -56.2 -58.96 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -82.37 138.04 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 23' ' ' LYS . 1.8 p -73.54 -34.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 22' ' ' VAL . 7.7 pttp -65.62 -36.03 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -70.0 -40.42 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 19' ' ' TYR . 39.4 tp -63.97 -55.16 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.9 mt -47.32 -58.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -52.36 -41.24 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.36 -44.16 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' HIS . 56.5 mt -47.77 -52.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -72.13 -25.88 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -67.29 -56.05 11.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.9 mtp -94.7 -49.08 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 6.2 m-70 -97.72 58.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.555 0.693 . . . . 0.0 110.912 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -76.89 169.46 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -110.3 92.49 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.14 -108.35 1.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -111.15 148.13 33.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -103.38 44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.69 82.06 1.04 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mm -43.91 -61.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HG2' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -43.6 152.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -102.84 157.95 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.407 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 18.6 m80 -131.97 115.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 t -44.89 156.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -107.52 -31.82 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 56.6 m-85 -71.12 -56.8 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.5 -21.0 22.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 61.47 44.32 9.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -100.58 179.16 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -108.77 136.52 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -135.26 148.44 49.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -89.6 -59.01 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -93.92 128.26 40.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.3 p -59.63 -40.42 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 31.4 mmtp -48.79 -50.77 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 24' ' ' ASN . 28.7 t-20 -59.1 -42.7 91.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.5 tp -55.4 -62.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 mt -40.73 -57.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.21 -42.38 73.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -59.25 -42.7 91.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 33' ' ' HIS . 65.4 mt -53.09 -59.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -70.94 -11.86 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.61 -51.21 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.5 mmm -111.82 -39.62 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 12.1 m-70 -86.84 55.24 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -107.45 80.81 0.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.32 32.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.299 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -81.62 46.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 7.6 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -138.46 155.89 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -128.18 112.59 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.57 -51.01 10.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -100.69 162.17 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -101.77 164.75 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.1 -56.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.13 115.73 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 22.5 pttp -142.62 127.06 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -103.5 42.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 6.2 m-70 -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.13 121.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 10.6 mtp-105 -84.23 23.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.48 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 65.3 m-85 -123.8 -57.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -99.31 -7.63 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 61.93 47.36 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -102.5 176.63 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -115.95 137.01 52.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -133.65 169.15 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 p -100.47 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.51 138.08 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 23' ' ' LYS . 3.1 p -62.27 -40.78 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' HG11 ' A' ' 22' ' ' VAL . 1.8 mptm? -47.29 -58.82 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -61.56 -41.42 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -52.08 -52.92 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 HG21 ' NH2' ' A' ' 30' ' ' ARG . 25.4 mt -47.37 -52.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -46.97 -49.91 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -55.83 -44.12 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' HIS . 40.8 mt -54.59 -58.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' NH2' HG21 ' A' ' 26' ' ' ILE . 69.6 mtm180 -62.22 -17.52 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -57.0 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mmm -96.89 -48.96 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 4.9 m-70 -97.75 59.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.68 143.75 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.99 55.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.614 2.21 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.52 -49.97 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -63.85 135.66 56.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -150.67 176.46 10.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.92 177.11 27.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -69.72 88.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -163.33 171.03 16.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.36 161.03 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 9' ' ' LYS . 3.7 tp -166.73 141.85 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 20.5 mtmm -121.69 -46.64 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -54.62 104.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 9' ' ' LYS . 9.1 p80 -135.27 136.04 41.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.13 173.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -110.74 -39.81 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -76.17 -57.45 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -93.26 -14.46 26.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 53.14 47.53 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -83.86 -179.59 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -118.29 131.09 56.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.83 122.09 17.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 p -56.0 -65.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.01 114.39 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.0 p -46.98 -45.39 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 12.8 mptt -38.39 -40.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -38.96 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' VAL . 29.9 tp -55.28 -58.43 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mp -46.23 -49.75 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -60.51 -47.29 86.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.75 -51.05 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' HIS . 28.8 mt -56.53 -21.02 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -91.87 -12.72 32.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.06 -57.12 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mmm -76.75 -48.96 17.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 29' ' ' ILE . 3.7 m-70 -114.9 51.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.83 142.65 63.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 177.08 5.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.32 -29.17 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -60.72 -49.18 78.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -59.43 137.38 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.12 -43.27 56.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -121.31 137.81 54.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -112.44 135.33 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.69 126.56 0.97 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.83 115.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.073 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.79 144.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -116.95 146.81 42.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -131.26 136.77 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.82 174.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -111.01 -43.67 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 59.4 m-85 -73.06 -61.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -88.19 -17.11 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp 56.5 49.52 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -92.45 -177.55 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.25 132.3 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.82 131.29 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -62.07 -70.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -87.92 117.87 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 23' ' ' LYS . 1.8 p -45.45 -30.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 22' ' ' VAL . 10.2 mptt -50.21 -38.32 39.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.67 -22.26 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 tp -75.38 -56.46 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mp -51.36 -44.6 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 28' ' ' HIS . 0.5 OUTLIER -71.89 -36.09 69.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' ASP . 42.1 t60 -60.13 -52.18 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' HIS . 96.7 mt -43.02 -56.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -64.63 -19.19 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' HIS . 10.2 t70 -72.91 -49.81 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.2 mmm -111.98 -48.91 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 1.8 m-70 -91.99 57.01 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 142.62 69.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -97.55 -70.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -108.82 173.18 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -51.41 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -114.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m -72.5 163.43 28.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -123.49 158.92 30.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.34 129.77 1.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.05 158.52 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -131.22 171.18 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -105.09 76.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -93.15 133.79 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.68 177.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -113.08 -43.82 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 57.1 m-85 -76.21 -62.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.3 -7.36 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 43.92 54.72 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -93.07 174.54 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -103.17 138.64 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.492 ' OH ' ' CG ' ' A' ' 28' ' ' HIS . 16.6 m-85 -138.42 167.53 21.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -90.9 -60.32 1.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.86 177.25 4.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 2.6 p -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.55 -32.31 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -76.19 -33.21 59.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.93 -60.23 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.558 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 46.8 mt -40.15 -44.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -58.62 -49.21 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CG ' ' OH ' ' A' ' 19' ' ' TYR . 10.4 t60 -52.04 -38.23 56.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.427 ' CD1' HD11 ' A' ' 25' ' ' LEU . 28.8 mt -71.78 -27.88 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -83.54 -11.66 57.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.88 -57.01 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtp -83.56 -48.02 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 50.8 m-70 -91.86 54.62 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.6 t0 -111.04 80.82 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.88 31.79 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -110.28 92.63 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -66.13 131.02 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -125.62 153.2 44.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.1 67.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -121.5 -61.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 t -78.06 90.17 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 84.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 9' ' ' LYS . 5.4 tp -121.47 -30.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 111.161 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' N ' HG23 ' A' ' 8' ' ' ILE . 8.3 tppt? -121.05 157.55 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -78.07 79.57 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -96.0 147.7 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.09 123.49 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.1 ptp180 -85.04 22.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 13' ' ' ARG . 37.3 m-85 -125.02 -52.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 -5.85 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm 60.26 51.11 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -98.82 175.67 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -114.63 129.81 56.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -139.17 114.17 9.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -83.56 38.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -174.79 110.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.5 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 7.9 p -54.82 -50.28 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 4.1 mptt -48.3 -48.22 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.57 -39.16 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -58.0 -57.05 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 34.9 mt -45.49 -47.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -53.74 -58.38 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -43.73 -63.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 47.7 mt -37.84 -65.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -65.54 -16.63 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 19.6 t70 -74.02 -42.67 59.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.0 mtp -108.46 -49.1 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' ILE . 12.0 m-70 -69.78 -42.51 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . 2.0 p30 34.24 54.99 1.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.8 Cg_endo -69.69 -13.29 34.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -113.21 98.62 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 m -43.71 159.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -55.0 122.95 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.61 178.03 45.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 m -103.74 158.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -108.72 130.49 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.71 -170.77 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -121.08 104.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -96.04 145.88 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -92.45 132.19 36.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -121.79 116.21 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -47.53 123.91 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -85.41 23.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.7 m-85 -123.56 -50.32 1.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -111.1 -4.77 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.05 49.92 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -102.11 176.27 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -116.96 130.54 56.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -138.85 110.73 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -45.11 -64.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' HB2' ' ND2' ' A' ' 24' ' ' ASN . 7.6 m-20 -97.02 134.83 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.8 p -61.05 -42.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 15.2 mtpt -38.67 -47.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 21' ' ' ASP . 19.8 m-80 -66.6 -39.81 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' VAL . 61.3 tp -50.6 -60.98 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mp -43.02 -60.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HA ' ' CG ' ' A' ' 30' ' ' ARG . 29.9 mtpp -49.59 -38.83 33.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -67.89 -35.34 78.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 74.9 mt -74.67 -43.07 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' CG ' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -72.92 -18.64 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -95.24 -46.02 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 mtp -94.06 -44.15 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 14' ' ' PHE . 82.6 m-70 -96.6 59.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -107.6 81.44 1.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.91 8.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.394 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -53.82 -55.45 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m -93.99 -47.99 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m 61.61 42.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.39 -63.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -78.98 103.88 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -66.03 151.14 47.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.76 64.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 9' ' ' LYS . 43.3 pt -58.66 -35.05 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 8' ' ' ILE . 16.6 ttpp -46.72 146.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.97 128.79 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 8.3 p-80 -110.21 137.27 48.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -71.33 122.92 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -84.14 33.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CB ' ' NE2' ' A' ' 33' ' ' HIS . 21.9 m-85 -135.05 -45.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 p -116.45 -7.67 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 62.67 47.41 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -105.58 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -122.39 138.89 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.5 m-85 -137.67 115.97 11.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' TYR . 13.4 p -36.85 -59.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -105.35 152.0 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 23' ' ' LYS . 8.8 p -75.05 -38.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' N ' HG12 ' A' ' 22' ' ' VAL . 16.2 mtpp -44.35 -42.9 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -37.39 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.05 -61.8 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.77 -55.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -60.9 -45.33 95.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -49.47 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.433 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 84.7 mt -37.81 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -63.51 -16.12 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.5 t70 -67.43 -46.5 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.4 mmm -111.86 -48.82 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.433 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 14.0 m-70 -64.57 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.818 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.0 t70 61.46 52.51 2.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.77 145.2 56.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -142.59 122.87 13.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -91.3 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -83.47 124.39 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.15 142.81 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -137.09 116.24 12.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -125.57 150.06 47.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.76 138.08 5.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.41 HD11 ' N ' ' A' ' 8' ' ' ILE . 4.3 mp -102.54 119.74 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -116.37 -44.7 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 26.8 mp0 -97.49 97.47 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -116.93 142.42 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -63.01 171.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -110.27 -46.14 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.5 -62.19 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -85.81 -14.31 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 49.84 50.85 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -91.77 179.03 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -110.72 119.79 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.38 153.24 40.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -63.28 -58.69 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.04 178.62 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 1.9 p -81.46 -33.77 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -49.35 48.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.8 -39.92 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.96 -55.68 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.06 -56.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -52.7 -48.25 66.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ASP . 10.9 t60 -55.81 -50.39 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' HIS . 69.3 mt -38.83 -51.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.9 -26.6 62.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' HIS . 17.4 t0 -58.19 -51.12 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mtp -111.99 -48.73 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ILE . 2.5 m-70 -90.5 56.49 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.33 138.67 78.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 37' ' ' ASP . 54.2 Cg_endo -69.69 2.63 3.32 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' PRO . 18.8 tt0 -34.46 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' PRO . 72.0 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -53.56 -53.17 55.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -126.07 107.09 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -105.53 -38.29 2.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -83.98 37.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' GLY . . . 75.45 155.65 5.29 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.8 mt -62.57 134.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -69.98 78.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -79.33 98.98 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -106.26 146.19 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.99 125.48 26.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -86.42 28.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -127.69 -45.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -122.75 5.2 9.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm 59.04 54.27 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.554 ' HG3' ' CE1' ' A' ' 28' ' ' HIS . 8.3 mmtp -89.53 171.17 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -120.45 121.01 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 28' ' ' HIS . 35.9 m-85 -137.31 143.53 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -83.41 -60.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.86 116.19 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 5.2 p -43.11 -47.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.52 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 58.8 mmtt -40.53 -36.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.08 -36.89 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' VAL . 24.5 tp -56.63 -58.76 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -47.79 -43.76 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -67.93 -45.36 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 4.6 t60 -48.18 -56.06 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 33' ' ' HIS . 46.8 mt -39.31 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -63.9 -12.9 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' HIS . 6.9 t0 -76.8 -46.75 23.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 42.4 mtp -106.26 -48.85 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ILE . 11.3 m-70 -67.25 -61.02 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 45.0 t0 59.16 53.82 4.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.74 152.98 69.52 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -113.75 94.97 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.2 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -166.87 117.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -80.66 -56.08 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.2 87.1 0.92 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 t 47.83 41.76 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -140.63 111.8 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.32 129.35 9.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 9' ' ' LYS . 15.2 pt -118.77 -35.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' N ' HG13 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.78 116.14 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -94.98 79.35 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -134.53 139.77 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.79 172.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -111.4 -43.45 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -66.62 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.22 -11.29 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp 49.17 52.92 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -97.9 167.4 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -103.27 139.54 38.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.65 130.88 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -63.7 -53.79 45.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.73 122.94 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.1 p -52.55 -44.1 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 7.8 mtpm? -40.78 -39.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -69.16 -39.28 78.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' VAL . 53.8 tp -55.72 -59.48 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mp -43.49 -56.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -59.62 -42.65 93.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' ASP . 12.5 t60 -53.74 -58.04 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' HIS . 49.3 mt -38.14 -59.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -65.9 -24.61 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' HIS . 27.0 t70 -69.25 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mtp -97.57 -48.28 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 29' ' ' ILE . 7.8 m-70 -97.27 59.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -65.36 137.16 96.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -2.83 10.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 48.29 36.65 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -117.76 -56.53 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -136.75 140.55 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.09 111.33 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -157.27 157.58 34.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -136.81 120.61 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.63 -47.42 3.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 8' ' ' ILE . 2.8 pp -60.32 146.43 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.42 39.38 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.42 41.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -101.67 121.22 41.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -54.74 127.5 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -82.8 1.13 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 42.9 m-85 -99.25 -60.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -92.67 -2.78 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.61 43.77 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -99.3 178.46 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -122.57 133.3 54.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.46 147.31 52.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -75.79 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.62 137.39 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 7.1 p -62.75 -50.49 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -48.94 -34.7 13.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.29 -34.73 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.16 -58.17 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -38.84 -49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -65.68 -47.2 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -45.63 -50.33 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 23.1 mt -55.56 -31.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -80.3 -10.94 59.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -55.32 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mmm -84.97 -45.38 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 29' ' ' ILE . 51.5 m-70 -95.15 56.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.7 OUTLIER -107.67 80.93 1.03 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 131.82 21.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.296 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -115.89 -43.12 3.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -128.87 -55.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -83.0 172.14 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.27 112.23 3.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -111.19 42.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t 53.6 42.04 31.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 80.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.5 pt -134.54 147.74 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -171.59 151.75 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -137.59 107.03 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -111.21 138.72 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.02 123.4 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -85.18 31.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' CE1' HG21 ' A' ' 29' ' ' ILE . 88.3 m-85 -134.33 -47.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -120.88 12.17 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 48.32 45.28 20.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -98.89 171.42 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -118.68 145.22 45.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -137.18 154.41 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 p -61.52 -57.66 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.39 162.48 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.6 p -63.62 -41.63 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 44.0 mttt -48.35 -45.5 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -67.82 -41.86 82.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -53.8 -61.11 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 98.6 mt -41.22 -58.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -46.62 -47.22 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 13.1 t60 -61.75 -29.2 69.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 HG21 ' CE1' ' A' ' 14' ' ' PHE . 34.6 mt -80.67 -29.16 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -94.94 -6.71 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.38 -56.54 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 32' ' ' MET . 2.7 mpp? -92.41 -48.56 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -84.49 51.59 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -107.56 78.13 0.67 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 155.09 66.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -67.06 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -56.12 116.33 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -86.51 152.96 22.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.45 62.41 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -52.7 -61.35 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -118.92 47.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.37 -75.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.526 ' CD1' ' C ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -137.37 117.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.156 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -123.84 169.45 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -121.91 45.89 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -109.6 132.84 53.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.41 174.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -113.5 -46.79 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CD1' ' CB ' ' A' ' 33' ' ' HIS . 59.6 m-85 -67.22 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 p -90.91 -7.11 53.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 44.27 52.08 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -93.26 178.04 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -116.78 137.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.25 166.45 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.1 t -70.46 -53.4 16.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.52 166.29 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.415 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 2.8 p -71.42 -38.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 8.0 mmpt? -50.31 -50.23 51.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -62.15 -41.71 98.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.15 -58.71 6.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -41.33 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.0 -46.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -56.73 -49.19 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 33' ' ' HIS . 91.7 mt -45.68 -52.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -71.17 -19.29 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.09 -43.55 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.8 mtp -112.05 -49.03 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.595 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . 2.5 m-70 -96.73 58.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 134.52 95.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.02 19.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -106.46 42.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -127.04 177.14 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -133.7 148.98 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.52 161.82 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -111.66 -53.73 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -71.01 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.29 94.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp -124.55 132.46 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.73 134.37 43.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -86.04 109.89 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -122.09 146.7 46.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.83 173.04 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -109.11 -40.22 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -77.06 -60.89 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 p -87.4 -12.62 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt 51.09 50.37 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -96.51 152.2 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 133.67 33.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -128.21 166.14 19.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -91.93 -51.84 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.93 167.59 10.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.53 -37.76 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -58.66 -45.51 89.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -64.52 -40.95 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.65 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.8 mt -38.8 -49.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.67 -47.76 76.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.4 t60 -53.87 -53.91 45.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' HIS . 75.4 mt -37.64 -53.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -70.77 -28.08 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.3 t70 -59.85 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.3 mmm -110.44 -48.19 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.0 m-70 -93.28 57.85 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -71.08 134.55 85.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' PRO . 41.4 tt0 -34.41 -47.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 m -131.35 157.51 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -100.04 -46.97 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.81 -74.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 92.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -152.64 126.12 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.89 -163.42 28.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mm 59.17 51.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 111.195 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -121.4 136.33 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -119.53 112.53 19.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -108.88 131.42 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.1 t -47.07 173.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -106.75 -42.8 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.73 -66.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' LYS . 16.2 p -84.2 -1.51 55.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' CYS . 16.9 mttp 36.94 50.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -89.34 174.95 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -106.57 133.05 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.3 m-85 -138.21 112.78 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' TYR . 21.9 t -37.13 -63.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.423 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 37.6 t70 -99.82 171.59 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 23' ' ' LYS . 1.9 p -95.67 -32.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 22' ' ' VAL . 43.7 mmtm -49.62 -39.34 35.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 21' ' ' ASP . 6.4 p30 -74.69 -33.15 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -57.84 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -43.63 -47.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.78 -37.32 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' ASP . 20.1 t60 -59.64 -57.46 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' HIS . 74.5 mt -36.94 -54.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -72.14 -26.95 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' HIS . 9.0 t0 -62.73 -47.98 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 94.5 mmm -108.29 -47.7 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.8 m-70 -96.28 59.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -70.23 134.55 87.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.463 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 53.5 Cg_endo -69.81 140.1 41.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 tt0 -37.4 -49.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -128.62 137.16 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 48.99 42.23 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.03 66.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -89.34 152.6 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -89.28 81.06 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.47 -132.51 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mt 48.16 50.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -105.93 -44.55 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -98.51 115.12 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -133.74 133.89 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.56 174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -113.01 -40.73 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -72.3 -61.07 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.406 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 23.6 p -89.97 -9.14 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER 48.23 51.81 14.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -89.51 176.06 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -111.21 133.13 53.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -133.49 166.75 21.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -80.03 -59.01 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -121.72 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 p -74.66 -28.7 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -63.58 -36.87 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -78.9 -33.49 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.0 tp -66.01 -50.81 62.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.45 -56.32 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -45.93 -40.4 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 6.4 t60 -65.67 -56.14 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' HIS . 73.1 mt -39.72 -57.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -64.69 -23.57 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 11.5 t70 -70.25 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.9 mmm -97.28 -48.82 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.8 m-70 -96.28 59.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.05 136.93 95.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.738 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.86 28.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -102.96 85.45 2.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -95.55 155.09 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -162.45 146.89 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.72 40.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -55.96 -54.38 45.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -127.89 97.94 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.06 -156.71 15.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.2 pt -140.96 119.71 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.381 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -100.13 149.44 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -141.43 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.77 131.42 53.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -53.81 169.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -107.46 -46.69 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 76.7 m-85 -66.21 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 p -81.16 -21.11 39.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 58.66 46.99 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -90.38 176.04 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -116.25 129.07 56.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.45 168.29 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -76.08 -57.99 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.67 169.93 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.13 -33.01 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -52.25 -48.22 65.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.94 -43.72 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.1 tp -52.51 -60.05 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.09 -55.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -55.44 -43.68 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.8 t60 -55.29 -55.68 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' HIS . 97.9 mt -36.48 -68.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.49 -18.72 62.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' HIS . 8.8 t0 -64.47 -46.37 83.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.5 mmm -111.97 -49.15 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 15.7 m-70 -63.9 -44.22 93.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 36.4 t70 39.92 55.01 6.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.7 Cg_endo -69.74 98.24 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.12 -42.88 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -96.0 146.88 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -114.19 161.98 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.12 95.04 1.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -149.17 155.14 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -104.03 108.92 20.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.81 -161.5 12.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.456 HD11 ' N ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -139.22 143.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.169 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -35.5 122.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.02 113.55 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -98.67 121.98 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -45.6 164.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -109.61 -36.36 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 99.0 m-85 -70.79 -57.97 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 p -89.73 -22.61 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.45 47.63 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -107.41 131.62 54.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -128.91 148.12 50.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -68.51 -60.13 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.17 178.3 4.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.1 p -91.71 -42.2 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.6 mppt? -47.4 -42.82 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -68.55 -41.52 79.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.6 tp -56.74 -56.91 15.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.1 mt -42.72 -57.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -50.92 -43.12 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -62.03 -51.42 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 33' ' ' HIS . 42.9 mt -38.48 -53.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -70.3 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.31 -56.13 6.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 36.5 mmm -99.71 -49.06 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.1 m-70 -93.75 58.69 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.94 131.74 88.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -110.77 101.57 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -67.14 150.64 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -96.66 146.12 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.05 152.58 9.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.542 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -116.9 86.12 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -143.93 163.22 34.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 165.11 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.5 mt -115.83 -51.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -84.01 -57.96 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -123.82 111.12 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -129.69 103.64 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.04 123.82 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -84.72 24.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m-85 -128.17 -51.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -105.94 -2.23 23.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 16' ' ' LYS . 4.2 mmmp? 54.85 47.18 22.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.28 178.35 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.88 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.428 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 15.3 m-85 -138.31 111.03 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -56.2 -58.96 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -82.37 138.04 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 23' ' ' LYS . 1.8 p -73.54 -34.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 22' ' ' VAL . 7.7 pttp -65.62 -36.03 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -70.0 -40.42 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 19' ' ' TYR . 39.4 tp -63.97 -55.16 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.9 mt -47.32 -58.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -52.36 -41.24 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.36 -44.16 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' HIS . 56.5 mt -47.77 -52.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -72.13 -25.88 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -67.29 -56.05 11.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.9 mtp -94.7 -49.08 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 6.2 m-70 -97.72 58.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -61.93 131.29 93.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.555 0.693 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.43 69.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.277 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 36' ' ' GLN . 5.4 pp0? -173.98 127.09 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -131.97 115.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 t -44.89 156.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -107.52 -31.82 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 56.6 m-85 -71.12 -56.8 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.5 -21.0 22.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 61.47 44.32 9.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -100.58 179.16 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -108.77 136.52 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -135.26 148.44 49.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -89.6 -59.01 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -93.92 128.26 40.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.3 p -59.63 -40.42 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 31.4 mmtp -48.79 -50.77 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 24' ' ' ASN . 28.7 t-20 -59.1 -42.7 91.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.5 tp -55.4 -62.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 29' ' ' ILE . 19.1 mt -40.73 -57.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.21 -42.38 73.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -59.25 -42.7 91.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 26' ' ' ILE . 65.4 mt -53.09 -59.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -70.94 -11.86 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.61 -51.21 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.5 mmm -111.82 -39.62 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 12.1 m-70 -86.84 55.24 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.13 121.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 10.6 mtp-105 -84.23 23.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 65.3 m-85 -123.8 -57.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -99.31 -7.63 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 61.93 47.36 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -102.5 176.63 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -115.95 137.01 52.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -133.65 169.15 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 p -100.47 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.51 138.08 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.1 p -62.27 -40.78 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.8 mptm? -47.29 -58.82 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -61.56 -41.42 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -52.08 -52.92 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 29' ' ' ILE . 25.4 mt -47.37 -52.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -46.97 -49.91 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -55.83 -44.12 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' HIS . 40.8 mt -54.59 -58.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -62.22 -17.52 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -57.0 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mmm -96.89 -48.96 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 4.9 m-70 -97.75 59.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -135.27 136.04 41.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.13 173.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -110.74 -39.81 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -76.17 -57.45 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -93.26 -14.46 26.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 53.14 47.53 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -83.86 -179.59 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -118.29 131.09 56.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.83 122.09 17.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 p -56.0 -65.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.01 114.39 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG22 ' CD1' ' A' ' 26' ' ' ILE . 4.0 p -46.98 -45.39 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 12.8 mptt -38.39 -40.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -38.96 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' VAL . 29.9 tp -55.28 -58.43 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 26' ' ' ILE . 4.2 mp -46.23 -49.75 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -60.51 -47.29 86.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.75 -51.05 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' HIS . 28.8 mt -56.53 -21.02 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -91.87 -12.72 32.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.06 -57.12 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mmm -76.75 -48.96 17.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 29' ' ' ILE . 3.7 m-70 -114.9 51.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.632 ' HG3' HG23 ' A' ' 22' ' ' VAL . 9.7 mm100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -131.26 136.77 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 25' ' ' LEU . 1.8 t -62.82 174.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -111.01 -43.67 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.498 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 59.4 m-85 -73.06 -61.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -88.19 -17.11 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp 56.5 49.52 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -92.45 -177.55 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.25 132.3 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.82 131.29 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -62.07 -70.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -87.92 117.87 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' HG3' ' A' ' 10' ' ' GLN . 1.8 p -45.45 -30.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -50.21 -38.32 39.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.67 -22.26 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 12' ' ' CYS . 65.8 tp -75.38 -56.46 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 26' ' ' ILE . 3.0 mp -51.36 -44.6 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -36.09 69.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' ASP . 42.1 t60 -60.13 -52.18 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' HIS . 96.7 mt -43.02 -56.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -64.63 -19.19 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' HIS . 10.2 t70 -72.91 -49.81 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.2 mmm -111.98 -48.91 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 1.8 m-70 -91.99 57.01 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.15 133.79 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.68 177.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -113.08 -43.82 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 57.1 m-85 -76.21 -62.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.3 -7.36 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 43.92 54.72 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -93.07 174.54 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -103.17 138.64 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.492 ' OH ' ' CG ' ' A' ' 28' ' ' HIS . 16.6 m-85 -138.42 167.53 21.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -90.9 -60.32 1.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.86 177.25 4.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 2.6 p -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' H ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.55 -32.31 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -76.19 -33.21 59.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.93 -60.23 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.95 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 mt -40.15 -44.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -58.62 -49.21 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CG ' ' OH ' ' A' ' 19' ' ' TYR . 10.4 t60 -52.04 -38.23 56.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.579 HG23 ' HB2' ' A' ' 33' ' ' HIS . 28.8 mt -71.78 -27.88 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -83.54 -11.66 57.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.88 -57.01 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtp -83.56 -48.02 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 50.8 m-70 -91.86 54.62 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.6 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -96.0 147.7 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.09 123.49 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.1 ptp180 -85.04 22.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 13' ' ' ARG . 37.3 m-85 -125.02 -52.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 -5.85 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm 60.26 51.11 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -98.82 175.67 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -114.63 129.81 56.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -139.17 114.17 9.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -83.56 38.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -174.79 110.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG13 ' N ' ' A' ' 23' ' ' LYS . 7.9 p -54.82 -50.28 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.609 ' N ' HG13 ' A' ' 22' ' ' VAL . 4.1 mptt -48.3 -48.22 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.57 -39.16 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -58.0 -57.05 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.906 ' N ' HD13 ' A' ' 25' ' ' LEU . 34.9 mt -45.49 -47.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -53.74 -58.38 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -43.73 -63.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.683 HG23 ' HD2' ' A' ' 33' ' ' HIS . 47.7 mt -37.84 -65.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.724 ' NH1' HG23 ' A' ' 26' ' ' ILE . 7.2 mpt_? -65.54 -16.63 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 19.6 t70 -74.02 -42.67 59.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.0 mtp -108.46 -49.1 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.683 ' HD2' HG23 ' A' ' 29' ' ' ILE . 12.0 m-70 -69.78 -42.51 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . 2.0 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -121.79 116.21 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -47.53 123.91 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -85.41 23.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.7 m-85 -123.56 -50.32 1.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -111.1 -4.77 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.05 49.92 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -102.11 176.27 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -116.96 130.54 56.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -138.85 110.73 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -45.11 -64.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.02 134.83 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.8 p -61.05 -42.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 15.2 mtpt -38.67 -47.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -66.6 -39.81 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' VAL . 61.3 tp -50.6 -60.98 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.8 mp -43.02 -60.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' ARG . 29.9 mtpp -49.59 -38.83 33.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -67.89 -35.34 78.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' HB2' ' A' ' 33' ' ' HIS . 74.9 mt -74.67 -43.07 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -72.92 -18.64 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -95.24 -46.02 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 mtp -94.06 -44.15 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' HB2' HG23 ' A' ' 29' ' ' ILE . 82.6 m-70 -96.6 59.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -110.21 137.27 48.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -71.33 122.92 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -84.14 33.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 21.9 m-85 -135.05 -45.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 p -116.45 -7.67 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 62.67 47.41 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -105.58 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -122.39 138.89 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.5 m-85 -137.67 115.97 11.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' TYR . 13.4 p -36.85 -59.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -105.35 152.0 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG22 ' CD1' ' A' ' 26' ' ' ILE . 8.8 p -75.05 -38.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -44.35 -42.9 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -37.39 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.05 -61.8 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.678 ' CD1' HG22 ' A' ' 22' ' ' VAL . 3.0 mp -41.77 -55.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -60.9 -45.33 95.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -49.47 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.486 HG23 ' HD2' ' A' ' 33' ' ' HIS . 84.7 mt -37.81 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -63.51 -16.12 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.5 t70 -67.43 -46.5 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.4 mmm -111.86 -48.82 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.486 ' HD2' HG23 ' A' ' 29' ' ' ILE . 14.0 m-70 -64.57 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.818 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 26.8 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.842 0.354 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -116.93 142.42 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -63.01 171.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -110.27 -46.14 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.5 -62.19 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -85.81 -14.31 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 49.84 50.85 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -91.77 179.03 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -110.72 119.79 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.38 153.24 40.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -63.28 -58.69 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.04 178.62 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.503 HG13 ' HE3' ' A' ' 23' ' ' LYS . 1.9 p -81.46 -33.77 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HE3' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -49.79 -49.35 48.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.8 -39.92 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.96 -55.68 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.06 -56.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -52.7 -48.25 66.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ASP . 10.9 t60 -55.81 -50.39 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' HIS . 69.3 mt -38.83 -51.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.9 -26.6 62.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' HIS . 17.4 t0 -58.19 -51.12 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mtp -111.99 -48.73 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ILE . 2.5 m-70 -90.5 56.49 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -106.26 146.19 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.99 125.48 26.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -86.42 28.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -127.69 -45.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -122.75 5.2 9.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm 59.04 54.27 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 28' ' ' HIS . 8.3 mmtp -89.53 171.17 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -120.45 121.01 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 28' ' ' HIS . 35.9 m-85 -137.31 143.53 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -83.41 -60.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.86 116.19 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 23' ' ' LYS . 5.2 p -43.11 -47.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' N ' HG13 ' A' ' 22' ' ' VAL . 58.8 mmtt -40.53 -36.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.08 -36.89 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' VAL . 24.5 tp -56.63 -58.76 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 26' ' ' ILE . 5.1 mp -47.79 -43.76 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -67.93 -45.36 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 4.6 t60 -48.18 -56.06 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 33' ' ' HIS . 46.8 mt -39.31 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -63.9 -12.9 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' HIS . 6.9 t0 -76.8 -46.75 23.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 42.4 mtp -106.26 -48.85 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ILE . 11.3 m-70 -67.25 -61.02 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -134.53 139.77 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.79 172.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -111.4 -43.45 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -66.62 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.22 -11.29 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp 49.17 52.92 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -97.9 167.4 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -103.27 139.54 38.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.65 130.88 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -63.7 -53.79 45.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.73 122.94 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.1 p -52.55 -44.1 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 22' ' ' VAL . 7.8 mtpm? -40.78 -39.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -69.16 -39.28 78.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' VAL . 53.8 tp -55.72 -59.48 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.703 ' H ' HD12 ' A' ' 26' ' ' ILE . 5.1 mp -43.49 -56.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -59.62 -42.65 93.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' ASP . 12.5 t60 -53.74 -58.04 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' HIS . 49.3 mt -38.14 -59.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -65.9 -24.61 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' HIS . 27.0 t70 -69.25 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mtp -97.57 -48.28 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 29' ' ' ILE . 7.8 m-70 -97.27 59.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -101.67 121.22 41.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -54.74 127.5 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -82.8 1.13 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 42.9 m-85 -99.25 -60.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -92.67 -2.78 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.61 43.77 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -99.3 178.46 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -122.57 133.3 54.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.46 147.31 52.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -75.79 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.62 137.39 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 23' ' ' LYS . 7.1 p -62.75 -50.49 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.61 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -48.94 -34.7 13.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.29 -34.73 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.16 -58.17 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.577 HD11 HG22 ' A' ' 22' ' ' VAL . 3.5 mp -38.84 -49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -65.68 -47.2 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -45.63 -50.33 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.574 HG23 ' HB2' ' A' ' 33' ' ' HIS . 23.1 mt -55.56 -31.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -80.3 -10.94 59.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -55.32 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mmm -84.97 -45.38 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' HB2' HG23 ' A' ' 29' ' ' ILE . 51.5 m-70 -95.15 56.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -111.21 138.72 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.02 123.4 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -85.18 31.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.33 -47.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -120.88 12.17 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 48.32 45.28 20.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -98.89 171.42 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -118.68 145.22 45.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -137.18 154.41 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 p -61.52 -57.66 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.39 162.48 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.6 p -63.62 -41.63 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 44.0 mttt -48.35 -45.5 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -67.82 -41.86 82.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' HD11 ' A' ' 29' ' ' ILE . 62.4 tp -53.8 -61.11 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.457 ' HA ' HD12 ' A' ' 29' ' ' ILE . 98.6 mt -41.22 -58.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -46.62 -47.22 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 13.1 t60 -61.75 -29.2 69.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 26' ' ' ILE . 34.6 mt -80.67 -29.16 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -94.94 -6.71 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.38 -56.54 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 32' ' ' MET . 2.7 mpp? -92.41 -48.56 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -84.49 51.59 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -109.6 132.84 53.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.41 174.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -113.5 -46.79 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CD1' ' CB ' ' A' ' 33' ' ' HIS . 59.6 m-85 -67.22 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 p -90.91 -7.11 53.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 44.27 52.08 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -93.26 178.04 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -116.78 137.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.25 166.45 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.1 t -70.46 -53.4 16.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.52 166.29 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.436 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 2.8 p -71.42 -38.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 8.0 mmpt? -50.31 -50.23 51.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -62.15 -41.71 98.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.15 -58.71 6.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.499 ' HA ' HD12 ' A' ' 29' ' ' ILE . 87.4 mt -41.33 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.0 -46.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -56.73 -49.19 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 26' ' ' ILE . 91.7 mt -45.68 -52.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -71.17 -19.29 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.09 -43.55 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.8 mtp -112.05 -49.03 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.595 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . 2.5 m-70 -96.73 58.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -122.09 146.7 46.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.83 173.04 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -109.11 -40.22 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -77.06 -60.89 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 p -87.4 -12.62 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt 51.09 50.37 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -96.51 152.2 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 133.67 33.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -128.21 166.14 19.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -91.93 -51.84 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.93 167.59 10.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.53 -37.76 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -58.66 -45.51 89.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -64.52 -40.95 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.65 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.8 mt -38.8 -49.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.67 -47.76 76.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.4 t60 -53.87 -53.91 45.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' HIS . 75.4 mt -37.64 -53.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -70.77 -28.08 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.3 t70 -59.85 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.3 mmm -110.44 -48.19 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.0 m-70 -93.28 57.85 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -108.88 131.42 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.1 t -47.07 173.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -106.75 -42.8 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.73 -66.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' LYS . 16.2 p -84.2 -1.51 55.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' CYS . 16.9 mttp 36.94 50.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -89.34 174.95 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -106.57 133.05 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.3 m-85 -138.21 112.78 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' TYR . 21.9 t -37.13 -63.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 37.6 t70 -99.82 171.59 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.9 p -95.67 -32.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -49.62 -39.34 35.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 21' ' ' ASP . 6.4 p30 -74.69 -33.15 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -57.84 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 22' ' ' VAL . 3.5 mp -43.63 -47.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.78 -37.32 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' ASP . 20.1 t60 -59.64 -57.46 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' HIS . 74.5 mt -36.94 -54.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -72.14 -26.95 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' HIS . 9.0 t0 -62.73 -47.98 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 94.5 mmm -108.29 -47.7 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.8 m-70 -96.28 59.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -133.74 133.89 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.56 174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -113.01 -40.73 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -72.3 -61.07 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 23.6 p -89.97 -9.14 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER 48.23 51.81 14.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -89.51 176.06 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -111.21 133.13 53.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -133.49 166.75 21.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -80.03 -59.01 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.47 ' OD1' ' ND2' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -121.72 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 1.6 p -74.66 -28.7 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 10.5 mmpt? -63.58 -36.87 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.47 ' ND2' ' OD1' ' A' ' 21' ' ' ASP . 35.1 m-20 -78.9 -33.49 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.0 tp -66.01 -50.81 62.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.45 -56.32 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -45.93 -40.4 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 6.4 t60 -65.67 -56.14 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' HIS . 73.1 mt -39.72 -57.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -64.69 -23.57 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 11.5 t70 -70.25 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.9 mmm -97.28 -48.82 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.8 m-70 -96.28 59.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.738 . . . . 0.0 110.846 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -124.77 131.42 53.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.2 t -53.81 169.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -107.46 -46.69 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 76.7 m-85 -66.21 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 p -81.16 -21.11 39.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 58.66 46.99 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -90.38 176.04 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -116.25 129.07 56.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.45 168.29 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -76.08 -57.99 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.67 169.93 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.13 -33.01 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -52.25 -48.22 65.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.94 -43.72 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 12' ' ' CYS . 34.1 tp -52.51 -60.05 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.09 -55.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -55.44 -43.68 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.8 t60 -55.29 -55.68 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.455 HG23 ' HD2' ' A' ' 33' ' ' HIS . 97.9 mt -36.48 -68.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.49 -18.72 62.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' HIS . 8.8 t0 -64.47 -46.37 83.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.5 mmm -111.97 -49.15 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.455 ' HD2' HG23 ' A' ' 29' ' ' ILE . 15.7 m-70 -63.9 -44.22 93.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 32.1 m-70 -98.67 121.98 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -45.6 164.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -109.61 -36.36 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.44 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 99.0 m-85 -70.79 -57.97 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 p -89.73 -22.61 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.45 47.63 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' A' ' 11' ' ' HIS . 22.3 tttp -107.41 131.62 54.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -128.91 148.12 50.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -68.51 -60.13 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.17 178.3 4.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.1 p -91.71 -42.2 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.6 mppt? -47.4 -42.82 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -68.55 -41.52 79.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.6 tp -56.74 -56.91 15.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' A' ' 29' ' ' ILE . 59.1 mt -42.72 -57.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -50.92 -43.12 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -62.03 -51.42 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 33' ' ' HIS . 42.9 mt -38.48 -53.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -70.3 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.31 -56.13 6.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 36.5 mmm -99.71 -49.06 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.1 m-70 -93.75 58.69 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.5 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.864 0.364 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -129.69 103.64 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.04 123.82 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -84.72 24.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m-85 -128.17 -51.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -105.94 -2.23 23.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? 54.85 47.18 22.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.28 178.35 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.88 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.435 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 15.3 m-85 -138.31 111.03 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -56.2 -58.96 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -82.37 138.04 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 p -73.54 -34.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -65.62 -36.03 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -70.0 -40.42 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 10' ' ' GLN . 39.4 tp -63.97 -55.16 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 29' ' ' ILE . 66.9 mt -47.32 -58.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -52.36 -41.24 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.36 -44.16 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' HIS . 56.5 mt -47.77 -52.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -72.13 -25.88 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -67.29 -56.05 11.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.9 mtp -94.7 -49.08 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 6.2 m-70 -97.72 58.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.555 0.693 . . . . 0.0 110.912 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -76.89 169.46 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -110.3 92.49 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.14 -108.35 1.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -111.15 148.13 33.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -103.38 44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.69 82.06 1.04 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mm -43.91 -61.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' HG2' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -43.6 152.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -102.84 157.95 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 18.6 m80 -131.97 115.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 t -44.89 156.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -107.52 -31.82 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 56.6 m-85 -71.12 -56.8 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.5 -21.0 22.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 61.47 44.32 9.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -100.58 179.16 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -108.77 136.52 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -135.26 148.44 49.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -89.6 -59.01 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -93.92 128.26 40.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.3 p -59.63 -40.42 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 31.4 mmtp -48.79 -50.77 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 24' ' ' ASN . 28.7 t-20 -59.1 -42.7 91.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.5 tp -55.4 -62.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 29' ' ' ILE . 19.1 mt -40.73 -57.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.21 -42.38 73.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -59.25 -42.7 91.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 26' ' ' ILE . 65.4 mt -53.09 -59.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -70.94 -11.86 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.61 -51.21 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.5 mmm -111.82 -39.62 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 12.1 m-70 -86.84 55.24 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -107.45 80.81 0.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.32 32.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.299 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -81.62 46.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 7.6 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -138.46 155.89 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -128.18 112.59 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.57 -51.01 10.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -100.69 162.17 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -101.77 164.75 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.1 -56.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.7 mp -83.13 115.73 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 22.5 pttp -142.62 127.06 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -103.5 42.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 6.2 m-70 -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.13 121.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 10.6 mtp-105 -84.23 23.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 65.3 m-85 -123.8 -57.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -99.31 -7.63 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 61.93 47.36 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -102.5 176.63 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -115.95 137.01 52.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -133.65 169.15 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 p -100.47 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.51 138.08 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.1 p -62.27 -40.78 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.8 mptm? -47.29 -58.82 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -61.56 -41.42 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -52.08 -52.92 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 29' ' ' ILE . 25.4 mt -47.37 -52.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -46.97 -49.91 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -55.83 -44.12 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' HIS . 40.8 mt -54.59 -58.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -62.22 -17.52 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -57.0 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mmm -96.89 -48.96 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 4.9 m-70 -97.75 59.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.68 143.75 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.99 55.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.614 2.21 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.52 -49.97 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -63.85 135.66 56.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -150.67 176.46 10.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.92 177.11 27.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -69.72 88.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -163.33 171.03 16.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.36 161.03 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 9' ' ' LYS . 3.7 tp -166.73 141.85 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 20.5 mtmm -121.69 -46.64 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -54.62 104.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 9' ' ' LYS . 9.1 p80 -135.27 136.04 41.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.13 173.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -110.74 -39.81 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -76.17 -57.45 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -93.26 -14.46 26.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 53.14 47.53 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -83.86 -179.59 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -118.29 131.09 56.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.422 ' O ' HD11 ' A' ' 8' ' ' ILE . 33.6 m-85 -138.83 122.09 17.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 p -56.0 -65.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.01 114.39 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG22 ' CD1' ' A' ' 26' ' ' ILE . 4.0 p -46.98 -45.39 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 12.8 mptt -38.39 -40.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -38.96 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' VAL . 29.9 tp -55.28 -58.43 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 26' ' ' ILE . 4.2 mp -46.23 -49.75 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -60.51 -47.29 86.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.75 -51.05 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' HIS . 28.8 mt -56.53 -21.02 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -91.87 -12.72 32.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.06 -57.12 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mmm -76.75 -48.96 17.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 29' ' ' ILE . 3.7 m-70 -114.9 51.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.83 142.65 63.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 177.08 5.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.32 -29.17 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -60.72 -49.18 78.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -59.43 137.38 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.12 -43.27 56.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -121.31 137.81 54.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -112.44 135.33 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.69 126.56 0.97 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.83 115.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.073 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.79 144.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.632 ' HG3' HG23 ' A' ' 22' ' ' VAL . 9.7 mm100 -116.95 146.81 42.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -131.26 136.77 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 25' ' ' LEU . 1.8 t -62.82 174.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -111.01 -43.67 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 59.4 m-85 -73.06 -61.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -88.19 -17.11 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp 56.5 49.52 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -92.45 -177.55 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.25 132.3 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.82 131.29 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -62.07 -70.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -87.92 117.87 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' HG3' ' A' ' 10' ' ' GLN . 1.8 p -45.45 -30.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -50.21 -38.32 39.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.67 -22.26 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 12' ' ' CYS . 65.8 tp -75.38 -56.46 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 26' ' ' ILE . 3.0 mp -51.36 -44.6 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -36.09 69.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' ASP . 42.1 t60 -60.13 -52.18 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' HIS . 96.7 mt -43.02 -56.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -64.63 -19.19 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' HIS . 10.2 t70 -72.91 -49.81 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.2 mmm -111.98 -48.91 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 1.8 m-70 -91.99 57.01 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 142.62 69.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -97.55 -70.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -108.82 173.18 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -51.41 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -114.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m -72.5 163.43 28.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -123.49 158.92 30.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.34 129.77 1.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.854 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -114.05 158.52 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -131.22 171.18 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -105.09 76.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.15 133.79 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.68 177.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -113.08 -43.82 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 57.1 m-85 -76.21 -62.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.3 -7.36 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 43.92 54.72 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -93.07 174.54 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -103.17 138.64 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.492 ' OH ' ' CG ' ' A' ' 28' ' ' HIS . 16.6 m-85 -138.42 167.53 21.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -90.9 -60.32 1.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.86 177.25 4.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 2.6 p -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' H ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.55 -32.31 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -76.19 -33.21 59.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.93 -60.23 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.95 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 mt -40.15 -44.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -58.62 -49.21 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CG ' ' OH ' ' A' ' 19' ' ' TYR . 10.4 t60 -52.04 -38.23 56.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.579 HG23 ' HB2' ' A' ' 33' ' ' HIS . 28.8 mt -71.78 -27.88 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -83.54 -11.66 57.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.88 -57.01 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtp -83.56 -48.02 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 50.8 m-70 -91.86 54.62 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.6 t0 -111.04 80.82 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.88 31.79 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -110.28 92.63 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -66.13 131.02 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -125.62 153.2 44.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.1 67.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -121.5 -61.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 t -78.06 90.17 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 84.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -121.47 -30.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 111.161 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -121.05 157.55 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -78.07 79.57 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -96.0 147.7 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.09 123.49 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.1 ptp180 -85.04 22.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 13' ' ' ARG . 37.3 m-85 -125.02 -52.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 -5.85 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm 60.26 51.11 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -98.82 175.67 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -114.63 129.81 56.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -139.17 114.17 9.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -83.56 38.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -174.79 110.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG13 ' N ' ' A' ' 23' ' ' LYS . 7.9 p -54.82 -50.28 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.609 ' N ' HG13 ' A' ' 22' ' ' VAL . 4.1 mptt -48.3 -48.22 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.57 -39.16 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -58.0 -57.05 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.906 ' N ' HD13 ' A' ' 25' ' ' LEU . 34.9 mt -45.49 -47.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -53.74 -58.38 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -43.73 -63.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.683 HG23 ' HD2' ' A' ' 33' ' ' HIS . 47.7 mt -37.84 -65.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.724 ' NH1' HG23 ' A' ' 26' ' ' ILE . 7.2 mpt_? -65.54 -16.63 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 19.6 t70 -74.02 -42.67 59.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.0 mtp -108.46 -49.1 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.683 ' HD2' HG23 ' A' ' 29' ' ' ILE . 12.0 m-70 -69.78 -42.51 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . 2.0 p30 34.24 54.99 1.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.8 Cg_endo -69.69 -13.29 34.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -113.21 98.62 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 m -43.71 159.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -55.0 122.95 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.61 178.03 45.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 m -103.74 158.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -108.72 130.49 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.71 -170.77 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -121.08 104.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -96.04 145.88 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -92.45 132.19 36.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -121.79 116.21 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -47.53 123.91 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -85.41 23.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.7 m-85 -123.56 -50.32 1.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -111.1 -4.77 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.05 49.92 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -102.11 176.27 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -116.96 130.54 56.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -138.85 110.73 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -45.11 -64.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -97.02 134.83 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.8 p -61.05 -42.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 15.2 mtpt -38.67 -47.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -66.6 -39.81 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' VAL . 61.3 tp -50.6 -60.98 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.8 mp -43.02 -60.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' ARG . 29.9 mtpp -49.59 -38.83 33.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -67.89 -35.34 78.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' HB2' ' A' ' 33' ' ' HIS . 74.9 mt -74.67 -43.07 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -72.92 -18.64 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -95.24 -46.02 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 mtp -94.06 -44.15 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' HB2' HG23 ' A' ' 29' ' ' ILE . 82.6 m-70 -96.6 59.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -107.6 81.44 1.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.91 8.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.394 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -53.82 -55.45 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m -93.99 -47.99 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m 61.61 42.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.39 -63.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -78.98 103.88 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -66.03 151.14 47.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.76 64.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 9' ' ' LYS . 43.3 pt -58.66 -35.05 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 8' ' ' ILE . 16.6 ttpp -46.72 146.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.97 128.79 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -110.21 137.27 48.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -71.33 122.92 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -84.14 33.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 21.9 m-85 -135.05 -45.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 p -116.45 -7.67 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 62.67 47.41 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -105.58 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -122.39 138.89 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.5 m-85 -137.67 115.97 11.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' TYR . 13.4 p -36.85 -59.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -105.35 152.0 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG22 ' CD1' ' A' ' 26' ' ' ILE . 8.8 p -75.05 -38.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -44.35 -42.9 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -37.39 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.05 -61.8 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.678 ' CD1' HG22 ' A' ' 22' ' ' VAL . 3.0 mp -41.77 -55.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -60.9 -45.33 95.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -49.47 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.486 HG23 ' HD2' ' A' ' 33' ' ' HIS . 84.7 mt -37.81 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -63.51 -16.12 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.5 t70 -67.43 -46.5 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.4 mmm -111.86 -48.82 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.486 ' HD2' HG23 ' A' ' 29' ' ' ILE . 14.0 m-70 -64.57 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.818 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.0 t70 61.46 52.51 2.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.77 145.2 56.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -142.59 122.87 13.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -91.3 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -83.47 124.39 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.15 142.81 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -137.09 116.24 12.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -125.57 150.06 47.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.76 138.08 5.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.3 mp -102.54 119.74 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -116.37 -44.7 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 26.8 mp0 -97.49 97.47 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -116.93 142.42 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -63.01 171.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -110.27 -46.14 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.5 -62.19 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -85.81 -14.31 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 49.84 50.85 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -91.77 179.03 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -110.72 119.79 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.38 153.24 40.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -63.28 -58.69 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.04 178.62 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.503 HG13 ' HE3' ' A' ' 23' ' ' LYS . 1.9 p -81.46 -33.77 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HE3' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -49.79 -49.35 48.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.8 -39.92 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.96 -55.68 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.06 -56.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -52.7 -48.25 66.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ASP . 10.9 t60 -55.81 -50.39 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' HIS . 69.3 mt -38.83 -51.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.9 -26.6 62.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' HIS . 17.4 t0 -58.19 -51.12 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mtp -111.99 -48.73 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ILE . 2.5 m-70 -90.5 56.49 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.33 138.67 78.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 37' ' ' ASP . 54.2 Cg_endo -69.69 2.63 3.32 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' PRO . 18.8 tt0 -34.46 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' PRO . 72.0 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -53.56 -53.17 55.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -126.07 107.09 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -105.53 -38.29 2.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -83.98 37.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' GLY . . . 75.45 155.65 5.29 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.8 mt -62.57 134.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -69.98 78.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -79.33 98.98 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -106.26 146.19 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.99 125.48 26.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -86.42 28.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -127.69 -45.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -122.75 5.2 9.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm 59.04 54.27 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 28' ' ' HIS . 8.3 mmtp -89.53 171.17 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -120.45 121.01 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 28' ' ' HIS . 35.9 m-85 -137.31 143.53 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -83.41 -60.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.86 116.19 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 23' ' ' LYS . 5.2 p -43.11 -47.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' N ' HG13 ' A' ' 22' ' ' VAL . 58.8 mmtt -40.53 -36.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.08 -36.89 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' VAL . 24.5 tp -56.63 -58.76 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 26' ' ' ILE . 5.1 mp -47.79 -43.76 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -67.93 -45.36 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 4.6 t60 -48.18 -56.06 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 33' ' ' HIS . 46.8 mt -39.31 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -63.9 -12.9 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' HIS . 6.9 t0 -76.8 -46.75 23.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 42.4 mtp -106.26 -48.85 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ILE . 11.3 m-70 -67.25 -61.02 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 45.0 t0 59.16 53.82 4.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.74 152.98 69.52 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -113.75 94.97 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.2 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -166.87 117.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -80.66 -56.08 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.2 87.1 0.92 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 t 47.83 41.76 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -140.63 111.8 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.32 129.35 9.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 15.2 pt -118.77 -35.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.78 116.14 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -94.98 79.35 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -134.53 139.77 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.79 172.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -111.4 -43.45 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -66.62 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.22 -11.29 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp 49.17 52.92 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -97.9 167.4 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -103.27 139.54 38.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.65 130.88 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -63.7 -53.79 45.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.73 122.94 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.1 p -52.55 -44.1 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 22' ' ' VAL . 7.8 mtpm? -40.78 -39.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -69.16 -39.28 78.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' VAL . 53.8 tp -55.72 -59.48 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.703 ' H ' HD12 ' A' ' 26' ' ' ILE . 5.1 mp -43.49 -56.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -59.62 -42.65 93.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' ASP . 12.5 t60 -53.74 -58.04 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' HIS . 49.3 mt -38.14 -59.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -65.9 -24.61 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' HIS . 27.0 t70 -69.25 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mtp -97.57 -48.28 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 29' ' ' ILE . 7.8 m-70 -97.27 59.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -65.36 137.16 96.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -2.83 10.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 48.29 36.65 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -117.76 -56.53 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -136.75 140.55 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.09 111.33 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -157.27 157.58 34.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -136.81 120.61 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.63 -47.42 3.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.8 pp -60.32 146.43 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.42 39.38 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.42 41.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -101.67 121.22 41.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -54.74 127.5 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -82.8 1.13 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 42.9 m-85 -99.25 -60.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -92.67 -2.78 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.61 43.77 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -99.3 178.46 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -122.57 133.3 54.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.46 147.31 52.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -75.79 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.62 137.39 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 23' ' ' LYS . 7.1 p -62.75 -50.49 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.61 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -48.94 -34.7 13.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.29 -34.73 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.16 -58.17 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.577 HD11 HG22 ' A' ' 22' ' ' VAL . 3.5 mp -38.84 -49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -65.68 -47.2 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -45.63 -50.33 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.574 HG23 ' HB2' ' A' ' 33' ' ' HIS . 23.1 mt -55.56 -31.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -80.3 -10.94 59.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -55.32 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mmm -84.97 -45.38 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' HB2' HG23 ' A' ' 29' ' ' ILE . 51.5 m-70 -95.15 56.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.7 OUTLIER -107.67 80.93 1.03 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 131.82 21.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.296 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -115.89 -43.12 3.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -128.87 -55.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -83.0 172.14 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.27 112.23 3.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -111.19 42.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t 53.6 42.04 31.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 80.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.5 pt -134.54 147.74 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -171.59 151.75 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -137.59 107.03 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -111.21 138.72 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.02 123.4 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -85.18 31.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.33 -47.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -120.88 12.17 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 48.32 45.28 20.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -98.89 171.42 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -118.68 145.22 45.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -137.18 154.41 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 p -61.52 -57.66 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.39 162.48 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.6 p -63.62 -41.63 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 44.0 mttt -48.35 -45.5 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -67.82 -41.86 82.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' HD11 ' A' ' 29' ' ' ILE . 62.4 tp -53.8 -61.11 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.457 ' HA ' HD12 ' A' ' 29' ' ' ILE . 98.6 mt -41.22 -58.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -46.62 -47.22 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 13.1 t60 -61.75 -29.2 69.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 26' ' ' ILE . 34.6 mt -80.67 -29.16 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -94.94 -6.71 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.38 -56.54 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 32' ' ' MET . 2.7 mpp? -92.41 -48.56 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 38.8 m-70 -84.49 51.59 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -107.56 78.13 0.67 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 33' ' ' HIS . 53.4 Cg_endo -69.8 155.09 66.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -67.06 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -56.12 116.33 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -86.51 152.96 22.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.45 62.41 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -52.7 -61.35 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -118.92 47.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.37 -75.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.774 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -137.37 117.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.156 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.774 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -123.84 169.45 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -121.91 45.89 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -109.6 132.84 53.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.41 174.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -113.5 -46.79 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CD1' ' CB ' ' A' ' 33' ' ' HIS . 59.6 m-85 -67.22 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 p -90.91 -7.11 53.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 44.27 52.08 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -93.26 178.04 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -116.78 137.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.25 166.45 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.1 t -70.46 -53.4 16.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.52 166.29 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.436 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 2.8 p -71.42 -38.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 8.0 mmpt? -50.31 -50.23 51.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -62.15 -41.71 98.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.15 -58.71 6.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.499 ' HA ' HD12 ' A' ' 29' ' ' ILE . 87.4 mt -41.33 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.0 -46.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -56.73 -49.19 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 26' ' ' ILE . 91.7 mt -45.68 -52.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -71.17 -19.29 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.09 -43.55 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.8 mtp -112.05 -49.03 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.595 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . 2.5 m-70 -96.73 58.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 134.52 95.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.02 19.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -106.46 42.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -127.04 177.14 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -133.7 148.98 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.52 161.82 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -111.66 -53.73 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -71.01 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.29 94.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp -124.55 132.46 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.73 134.37 43.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -86.04 109.89 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -122.09 146.7 46.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.83 173.04 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -109.11 -40.22 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -77.06 -60.89 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 p -87.4 -12.62 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt 51.09 50.37 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -96.51 152.2 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 133.67 33.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -128.21 166.14 19.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -91.93 -51.84 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.93 167.59 10.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.53 -37.76 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -58.66 -45.51 89.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -64.52 -40.95 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.65 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.8 mt -38.8 -49.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.67 -47.76 76.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.4 t60 -53.87 -53.91 45.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' HIS . 75.4 mt -37.64 -53.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -70.77 -28.08 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.3 t70 -59.85 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.3 mmm -110.44 -48.19 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.0 m-70 -93.28 57.85 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -71.08 134.55 85.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' PRO . 41.4 tt0 -34.41 -47.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 m -131.35 157.51 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -100.04 -46.97 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.81 -74.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 92.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -152.64 126.12 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.89 -163.42 28.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mm 59.17 51.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 111.195 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -121.4 136.33 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -119.53 112.53 19.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -108.88 131.42 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.1 t -47.07 173.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -106.75 -42.8 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.73 -66.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' LYS . 16.2 p -84.2 -1.51 55.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' CYS . 16.9 mttp 36.94 50.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -89.34 174.95 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -106.57 133.05 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.3 m-85 -138.21 112.78 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' TYR . 21.9 t -37.13 -63.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 37.6 t70 -99.82 171.59 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.9 p -95.67 -32.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -49.62 -39.34 35.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 21' ' ' ASP . 6.4 p30 -74.69 -33.15 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -57.84 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 22' ' ' VAL . 3.5 mp -43.63 -47.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.78 -37.32 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' ASP . 20.1 t60 -59.64 -57.46 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' HIS . 74.5 mt -36.94 -54.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -72.14 -26.95 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' HIS . 9.0 t0 -62.73 -47.98 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 94.5 mmm -108.29 -47.7 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.8 m-70 -96.28 59.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -70.23 134.55 87.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.463 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 53.5 Cg_endo -69.81 140.1 41.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 tt0 -37.4 -49.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -128.62 137.16 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 48.99 42.23 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.03 66.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -89.34 152.6 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -89.28 81.06 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.47 -132.51 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mt 48.16 50.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -105.93 -44.55 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -98.51 115.12 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -133.74 133.89 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.56 174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -113.01 -40.73 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -72.3 -61.07 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 23.6 p -89.97 -9.14 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER 48.23 51.81 14.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -89.51 176.06 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -111.21 133.13 53.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -133.49 166.75 21.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -80.03 -59.01 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.47 ' OD1' ' ND2' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -121.72 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 1.6 p -74.66 -28.7 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 10.5 mmpt? -63.58 -36.87 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.47 ' ND2' ' OD1' ' A' ' 21' ' ' ASP . 35.1 m-20 -78.9 -33.49 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.0 tp -66.01 -50.81 62.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.45 -56.32 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -45.93 -40.4 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 6.4 t60 -65.67 -56.14 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' HIS . 73.1 mt -39.72 -57.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -64.69 -23.57 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 11.5 t70 -70.25 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.9 mmm -97.28 -48.82 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.8 m-70 -96.28 59.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.05 136.93 95.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.738 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.86 28.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -102.96 85.45 2.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -95.55 155.09 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -162.45 146.89 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.72 40.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -55.96 -54.38 45.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -127.89 97.94 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.06 -156.71 15.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.2 pt -140.96 119.71 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.381 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -100.13 149.44 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -141.43 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -124.77 131.42 53.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.2 t -53.81 169.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -107.46 -46.69 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 76.7 m-85 -66.21 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 p -81.16 -21.11 39.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 58.66 46.99 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -90.38 176.04 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -116.25 129.07 56.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.45 168.29 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -76.08 -57.99 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.67 169.93 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.13 -33.01 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -52.25 -48.22 65.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.94 -43.72 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 12' ' ' CYS . 34.1 tp -52.51 -60.05 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.09 -55.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -55.44 -43.68 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.8 t60 -55.29 -55.68 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.455 HG23 ' HD2' ' A' ' 33' ' ' HIS . 97.9 mt -36.48 -68.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.49 -18.72 62.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' HIS . 8.8 t0 -64.47 -46.37 83.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.5 mmm -111.97 -49.15 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.455 ' HD2' HG23 ' A' ' 29' ' ' ILE . 15.7 m-70 -63.9 -44.22 93.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 36.4 t70 39.92 55.01 6.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.7 Cg_endo -69.74 98.24 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.12 -42.88 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -96.0 146.88 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -114.19 161.98 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.12 95.04 1.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -149.17 155.14 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -104.03 108.92 20.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.81 -161.5 12.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.775 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -139.22 143.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.169 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -35.5 122.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.02 113.55 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 32.1 m-70 -98.67 121.98 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -45.6 164.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -109.61 -36.36 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.44 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 99.0 m-85 -70.79 -57.97 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 p -89.73 -22.61 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.45 47.63 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' A' ' 11' ' ' HIS . 22.3 tttp -107.41 131.62 54.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -128.91 148.12 50.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -68.51 -60.13 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.17 178.3 4.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.1 p -91.71 -42.2 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.6 mppt? -47.4 -42.82 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -68.55 -41.52 79.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.6 tp -56.74 -56.91 15.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' A' ' 29' ' ' ILE . 59.1 mt -42.72 -57.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -50.92 -43.12 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -62.03 -51.42 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 33' ' ' HIS . 42.9 mt -38.48 -53.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -70.3 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.31 -56.13 6.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 36.5 mmm -99.71 -49.06 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.1 m-70 -93.75 58.69 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.94 131.74 88.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -110.77 101.57 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -67.14 150.64 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -96.66 146.12 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.05 152.58 9.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.542 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -116.9 86.12 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -143.93 163.22 34.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 165.11 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.5 mt -115.83 -51.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -84.01 -57.96 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.5 mp0 -123.82 111.12 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -129.69 103.64 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.04 123.82 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -84.72 24.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m-85 -128.17 -51.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -105.94 -2.23 23.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? 54.85 47.18 22.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.28 178.35 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.88 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.435 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 15.3 m-85 -138.31 111.03 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -56.2 -58.96 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -82.37 138.04 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 p -73.54 -34.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -65.62 -36.03 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -70.0 -40.42 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 10' ' ' GLN . 39.4 tp -63.97 -55.16 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 29' ' ' ILE . 66.9 mt -47.32 -58.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -52.36 -41.24 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.36 -44.16 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' HIS . 56.5 mt -47.77 -52.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -72.13 -25.88 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -67.29 -56.05 11.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.9 mtp -94.7 -49.08 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 6.2 m-70 -97.72 58.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -61.93 131.29 93.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.555 0.693 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.43 69.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.277 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 36' ' ' GLN . 5.4 pp0? -173.98 127.09 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -131.97 115.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 t -44.89 156.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -107.52 -31.82 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 56.6 m-85 -71.12 -56.8 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.5 -21.0 22.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 61.47 44.32 9.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -100.58 179.16 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -108.77 136.52 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -135.26 148.44 49.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -89.6 -59.01 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -93.92 128.26 40.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.3 p -59.63 -40.42 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 31.4 mmtp -48.79 -50.77 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 28.7 t-20 -59.1 -42.7 91.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.5 tp -55.4 -62.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 29' ' ' ILE . 19.1 mt -40.73 -57.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.21 -42.38 73.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -59.25 -42.7 91.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 26' ' ' ILE . 65.4 mt -53.09 -59.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -70.94 -11.86 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.61 -51.21 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.5 mmm -111.82 -39.62 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 12.1 m-70 -86.84 55.24 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.13 121.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 10.6 mtp-105 -84.23 23.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 65.3 m-85 -123.8 -57.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -99.31 -7.63 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 61.93 47.36 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -102.5 176.63 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -115.95 137.01 52.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -133.65 169.15 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 p -100.47 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.51 138.08 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.1 p -62.27 -40.78 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.8 mptm? -47.29 -58.82 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -61.56 -41.42 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -52.08 -52.92 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 29' ' ' ILE . 25.4 mt -47.37 -52.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -46.97 -49.91 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -55.83 -44.12 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' HIS . 40.8 mt -54.59 -58.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -62.22 -17.52 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -57.0 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mmm -96.89 -48.96 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 4.9 m-70 -97.75 59.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -135.27 136.04 41.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.13 173.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -110.74 -39.81 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -76.17 -57.45 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -93.26 -14.46 26.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 53.14 47.53 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -83.86 -179.59 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -118.29 131.09 56.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.83 122.09 17.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 p -56.0 -65.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.01 114.39 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.6 HG22 ' CD1' ' A' ' 26' ' ' ILE . 4.0 p -46.98 -45.39 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.499 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 12.8 mptt -38.39 -40.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -38.96 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' VAL . 29.9 tp -55.28 -58.43 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 26' ' ' ILE . 4.2 mp -46.23 -49.75 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -60.51 -47.29 86.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.75 -51.05 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' HIS . 28.8 mt -56.53 -21.02 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -91.87 -12.72 32.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.06 -57.12 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mmm -76.75 -48.96 17.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 29' ' ' ILE . 3.7 m-70 -114.9 51.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.632 ' HG3' HG23 ' A' ' 22' ' ' VAL . 9.7 mm100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -131.26 136.77 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 25' ' ' LEU . 1.8 t -62.82 174.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -111.01 -43.67 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.498 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 59.4 m-85 -73.06 -61.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -88.19 -17.11 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp 56.5 49.52 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -92.45 -177.55 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.25 132.3 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.82 131.29 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -62.07 -70.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -87.92 117.87 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' HG3' ' A' ' 10' ' ' GLN . 1.8 p -45.45 -30.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -50.21 -38.32 39.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.67 -22.26 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 12' ' ' CYS . 65.8 tp -75.38 -56.46 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 26' ' ' ILE . 3.0 mp -51.36 -44.6 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -36.09 69.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' ASP . 42.1 t60 -60.13 -52.18 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' HIS . 96.7 mt -43.02 -56.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -64.63 -19.19 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' HIS . 10.2 t70 -72.91 -49.81 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.2 mmm -111.98 -48.91 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 1.8 m-70 -91.99 57.01 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -93.15 133.79 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.68 177.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -113.08 -43.82 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.587 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 57.1 m-85 -76.21 -62.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.3 -7.36 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 43.92 54.72 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -93.07 174.54 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -103.17 138.64 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.492 ' OH ' ' CG ' ' A' ' 28' ' ' HIS . 16.6 m-85 -138.42 167.53 21.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -90.9 -60.32 1.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.86 177.25 4.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 2.6 p -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' H ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.55 -32.31 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -76.19 -33.21 59.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.93 -60.23 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.95 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 mt -40.15 -44.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -58.62 -49.21 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CG ' ' OH ' ' A' ' 19' ' ' TYR . 10.4 t60 -52.04 -38.23 56.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.579 HG23 ' HB2' ' A' ' 33' ' ' HIS . 28.8 mt -71.78 -27.88 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -83.54 -11.66 57.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.88 -57.01 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtp -83.56 -48.02 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 50.8 m-70 -91.86 54.62 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.6 t0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.876 0.37 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -96.0 147.7 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.09 123.49 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.1 ptp180 -85.04 22.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 13' ' ' ARG . 37.3 m-85 -125.02 -52.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 -5.85 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm 60.26 51.11 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -98.82 175.67 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -114.63 129.81 56.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -139.17 114.17 9.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -83.56 38.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -174.79 110.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG13 ' N ' ' A' ' 23' ' ' LYS . 7.9 p -54.82 -50.28 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.609 ' N ' HG13 ' A' ' 22' ' ' VAL . 4.1 mptt -48.3 -48.22 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.57 -39.16 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -58.0 -57.05 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.906 ' N ' HD13 ' A' ' 25' ' ' LEU . 34.9 mt -45.49 -47.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -53.74 -58.38 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -43.73 -63.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.683 HG23 ' HD2' ' A' ' 33' ' ' HIS . 47.7 mt -37.84 -65.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.724 ' NH1' HG23 ' A' ' 26' ' ' ILE . 7.2 mpt_? -65.54 -16.63 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 19.6 t70 -74.02 -42.67 59.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.0 mtp -108.46 -49.1 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.683 ' HD2' HG23 ' A' ' 29' ' ' ILE . 12.0 m-70 -69.78 -42.51 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . 2.0 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.331 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -121.79 116.21 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -47.53 123.91 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -85.41 23.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.7 m-85 -123.56 -50.32 1.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -111.1 -4.77 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.05 49.92 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -102.11 176.27 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -116.96 130.54 56.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -138.85 110.73 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -45.11 -64.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' HB2' ' ND2' ' A' ' 24' ' ' ASN . 7.6 m-20 -97.02 134.83 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.8 p -61.05 -42.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 15.2 mtpt -38.67 -47.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 21' ' ' ASP . 19.8 m-80 -66.6 -39.81 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' VAL . 61.3 tp -50.6 -60.98 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.8 mp -43.02 -60.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' ARG . 29.9 mtpp -49.59 -38.83 33.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -67.89 -35.34 78.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' HB2' ' A' ' 33' ' ' HIS . 74.9 mt -74.67 -43.07 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -72.92 -18.64 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -95.24 -46.02 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 mtp -94.06 -44.15 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' HB2' HG23 ' A' ' 29' ' ' ILE . 82.6 m-70 -96.6 59.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.902 0.382 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 8.3 p-80 -110.21 137.27 48.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -71.33 122.92 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -84.14 33.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 21.9 m-85 -135.05 -45.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 p -116.45 -7.67 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 62.67 47.41 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -105.58 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -122.39 138.89 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.5 m-85 -137.67 115.97 11.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' TYR . 13.4 p -36.85 -59.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -105.35 152.0 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG22 ' CD1' ' A' ' 26' ' ' ILE . 8.8 p -75.05 -38.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -44.35 -42.9 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -37.39 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.05 -61.8 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.678 ' CD1' HG22 ' A' ' 22' ' ' VAL . 3.0 mp -41.77 -55.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -60.9 -45.33 95.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -49.47 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.486 HG23 ' HD2' ' A' ' 33' ' ' HIS . 84.7 mt -37.81 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -63.51 -16.12 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.5 t70 -67.43 -46.5 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.4 mmm -111.86 -48.82 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.486 ' HD2' HG23 ' A' ' 29' ' ' ILE . 14.0 m-70 -64.57 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.818 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 26.8 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.842 0.354 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -116.93 142.42 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -63.01 171.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -110.27 -46.14 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.5 -62.19 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -85.81 -14.31 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 49.84 50.85 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -91.77 179.03 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -110.72 119.79 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.38 153.24 40.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -63.28 -58.69 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.04 178.62 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.503 HG13 ' HE3' ' A' ' 23' ' ' LYS . 1.9 p -81.46 -33.77 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HE3' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -49.79 -49.35 48.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.8 -39.92 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.96 -55.68 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.06 -56.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -52.7 -48.25 66.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ASP . 10.9 t60 -55.81 -50.39 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' HIS . 69.3 mt -38.83 -51.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.9 -26.6 62.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' HIS . 17.4 t0 -58.19 -51.12 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mtp -111.99 -48.73 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ILE . 2.5 m-70 -90.5 56.49 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -106.26 146.19 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.99 125.48 26.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -86.42 28.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -127.69 -45.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -122.75 5.2 9.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm 59.04 54.27 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 28' ' ' HIS . 8.3 mmtp -89.53 171.17 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -120.45 121.01 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 28' ' ' HIS . 35.9 m-85 -137.31 143.53 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -83.41 -60.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.86 116.19 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 23' ' ' LYS . 5.2 p -43.11 -47.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' N ' HG13 ' A' ' 22' ' ' VAL . 58.8 mmtt -40.53 -36.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.08 -36.89 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' VAL . 24.5 tp -56.63 -58.76 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 26' ' ' ILE . 5.1 mp -47.79 -43.76 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -67.93 -45.36 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 4.6 t60 -48.18 -56.06 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 33' ' ' HIS . 46.8 mt -39.31 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -63.9 -12.9 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' HIS . 6.9 t0 -76.8 -46.75 23.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 42.4 mtp -106.26 -48.85 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ILE . 11.3 m-70 -67.25 -61.02 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.0 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -134.53 139.77 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.79 172.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -111.4 -43.45 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -66.62 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.22 -11.29 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp 49.17 52.92 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -97.9 167.4 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -103.27 139.54 38.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.65 130.88 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -63.7 -53.79 45.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.73 122.94 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.1 p -52.55 -44.1 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 22' ' ' VAL . 7.8 mtpm? -40.78 -39.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -69.16 -39.28 78.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' VAL . 53.8 tp -55.72 -59.48 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.703 ' H ' HD12 ' A' ' 26' ' ' ILE . 5.1 mp -43.49 -56.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -59.62 -42.65 93.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' ASP . 12.5 t60 -53.74 -58.04 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' HIS . 49.3 mt -38.14 -59.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -65.9 -24.61 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' HIS . 27.0 t70 -69.25 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mtp -97.57 -48.28 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 29' ' ' ILE . 7.8 m-70 -97.27 59.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.332 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -101.67 121.22 41.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -54.74 127.5 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -82.8 1.13 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 42.9 m-85 -99.25 -60.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -92.67 -2.78 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.61 43.77 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -99.3 178.46 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -122.57 133.3 54.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.46 147.31 52.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -75.79 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.62 137.39 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 23' ' ' LYS . 7.1 p -62.75 -50.49 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.61 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -48.94 -34.7 13.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.29 -34.73 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.16 -58.17 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.577 HD11 HG22 ' A' ' 22' ' ' VAL . 3.5 mp -38.84 -49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -65.68 -47.2 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -45.63 -50.33 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.574 HG23 ' HB2' ' A' ' 33' ' ' HIS . 23.1 mt -55.56 -31.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -80.3 -10.94 59.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -55.32 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mmm -84.97 -45.38 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' HB2' HG23 ' A' ' 29' ' ' ILE . 51.5 m-70 -95.15 56.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -111.21 138.72 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.02 123.4 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -85.18 31.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.33 -47.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -120.88 12.17 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 48.32 45.28 20.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -98.89 171.42 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -118.68 145.22 45.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -137.18 154.41 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 p -61.52 -57.66 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.39 162.48 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.6 p -63.62 -41.63 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 44.0 mttt -48.35 -45.5 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -67.82 -41.86 82.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' HD11 ' A' ' 29' ' ' ILE . 62.4 tp -53.8 -61.11 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.457 ' HA ' HD12 ' A' ' 29' ' ' ILE . 98.6 mt -41.22 -58.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -46.62 -47.22 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.481 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 13.1 t60 -61.75 -29.2 69.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 26' ' ' ILE . 34.6 mt -80.67 -29.16 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -94.94 -6.71 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.38 -56.54 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' A' ' 32' ' ' MET . 2.7 mpp? -92.41 -48.56 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -84.49 51.59 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -109.6 132.84 53.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.41 174.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -113.5 -46.79 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CD1' ' CB ' ' A' ' 33' ' ' HIS . 59.6 m-85 -67.22 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 p -90.91 -7.11 53.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 44.27 52.08 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -93.26 178.04 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -116.78 137.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.25 166.45 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.1 t -70.46 -53.4 16.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.52 166.29 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.436 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 2.8 p -71.42 -38.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 8.0 mmpt? -50.31 -50.23 51.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -62.15 -41.71 98.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.15 -58.71 6.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.499 ' HA ' HD12 ' A' ' 29' ' ' ILE . 87.4 mt -41.33 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.0 -46.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -56.73 -49.19 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 26' ' ' ILE . 91.7 mt -45.68 -52.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -71.17 -19.29 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.09 -43.55 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.8 mtp -112.05 -49.03 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.595 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . 2.5 m-70 -96.73 58.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -122.09 146.7 46.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.83 173.04 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -109.11 -40.22 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -77.06 -60.89 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 p -87.4 -12.62 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt 51.09 50.37 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -96.51 152.2 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 133.67 33.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -128.21 166.14 19.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -91.93 -51.84 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.93 167.59 10.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.53 -37.76 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -58.66 -45.51 89.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -64.52 -40.95 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.65 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.8 mt -38.8 -49.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.67 -47.76 76.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.4 t60 -53.87 -53.91 45.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' HIS . 75.4 mt -37.64 -53.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -70.77 -28.08 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.3 t70 -59.85 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.3 mmm -110.44 -48.19 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.0 m-70 -93.28 57.85 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' OD1' ' C ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -108.88 131.42 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.1 t -47.07 173.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -106.75 -42.8 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.73 -66.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' LYS . 16.2 p -84.2 -1.51 55.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' CYS . 16.9 mttp 36.94 50.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -89.34 174.95 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -106.57 133.05 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.3 m-85 -138.21 112.78 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' TYR . 21.9 t -37.13 -63.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 37.6 t70 -99.82 171.59 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.9 p -95.67 -32.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -49.62 -39.34 35.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 21' ' ' ASP . 6.4 p30 -74.69 -33.15 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -57.84 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 22' ' ' VAL . 3.5 mp -43.63 -47.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.78 -37.32 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' ASP . 20.1 t60 -59.64 -57.46 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' HIS . 74.5 mt -36.94 -54.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -72.14 -26.95 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' HIS . 9.0 t0 -62.73 -47.98 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 94.5 mmm -108.29 -47.7 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.8 m-70 -96.28 59.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 34' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -133.74 133.89 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.56 174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -113.01 -40.73 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -72.3 -61.07 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 23.6 p -89.97 -9.14 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER 48.23 51.81 14.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -89.51 176.06 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -111.21 133.13 53.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -133.49 166.75 21.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -80.03 -59.01 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -121.72 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 1.6 p -74.66 -28.7 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 10.5 mmpt? -63.58 -36.87 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -78.9 -33.49 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.0 tp -66.01 -50.81 62.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.45 -56.32 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -45.93 -40.4 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 6.4 t60 -65.67 -56.14 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' HIS . 73.1 mt -39.72 -57.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -64.69 -23.57 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 11.5 t70 -70.25 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.9 mmm -97.28 -48.82 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.8 m-70 -96.28 59.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.738 . . . . 0.0 110.846 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.77 131.42 53.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.2 t -53.81 169.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -107.46 -46.69 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 76.7 m-85 -66.21 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 p -81.16 -21.11 39.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 58.66 46.99 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -90.38 176.04 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -116.25 129.07 56.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.45 168.29 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -76.08 -57.99 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.67 169.93 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.13 -33.01 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -52.25 -48.22 65.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.94 -43.72 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 12' ' ' CYS . 34.1 tp -52.51 -60.05 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.09 -55.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -55.44 -43.68 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.8 t60 -55.29 -55.68 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.455 HG23 ' HD2' ' A' ' 33' ' ' HIS . 97.9 mt -36.48 -68.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.49 -18.72 62.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' HIS . 8.8 t0 -64.47 -46.37 83.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.5 mmm -111.97 -49.15 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.455 ' HD2' HG23 ' A' ' 29' ' ' ILE . 15.7 m-70 -63.9 -44.22 93.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.4 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 32.1 m-70 -98.67 121.98 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -45.6 164.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -109.61 -36.36 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.44 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 99.0 m-85 -70.79 -57.97 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 p -89.73 -22.61 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.45 47.63 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' A' ' 11' ' ' HIS . 22.3 tttp -107.41 131.62 54.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -128.91 148.12 50.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -68.51 -60.13 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.17 178.3 4.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.1 p -91.71 -42.2 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.6 mppt? -47.4 -42.82 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -68.55 -41.52 79.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.6 tp -56.74 -56.91 15.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' A' ' 29' ' ' ILE . 59.1 mt -42.72 -57.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -50.92 -43.12 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -62.03 -51.42 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 33' ' ' HIS . 42.9 mt -38.48 -53.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -70.3 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.31 -56.13 6.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 36.5 mmm -99.71 -49.06 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.1 m-70 -93.75 58.69 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.5 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.864 0.364 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -129.69 103.64 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.04 123.82 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -84.72 24.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m-85 -128.17 -51.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -105.94 -2.23 23.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? 54.85 47.18 22.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.28 178.35 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.88 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.435 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 15.3 m-85 -138.31 111.03 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -56.2 -58.96 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -82.37 138.04 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 p -73.54 -34.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -65.62 -36.03 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -70.0 -40.42 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 10' ' ' GLN . 39.4 tp -63.97 -55.16 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 29' ' ' ILE . 66.9 mt -47.32 -58.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -52.36 -41.24 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.36 -44.16 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' HIS . 56.5 mt -47.77 -52.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -72.13 -25.88 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -67.29 -56.05 11.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.9 mtp -94.7 -49.08 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 6.2 m-70 -97.72 58.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.555 0.693 . . . . 0.0 110.912 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -76.89 169.46 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -110.3 92.49 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.14 -108.35 1.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -111.15 148.13 33.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -103.38 44.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.69 82.06 1.04 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.6 mm -43.91 -61.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 111.1 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' HG2' ' CE1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -43.6 152.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -102.84 157.95 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 18.6 m80 -131.97 115.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 t -44.89 156.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 -107.52 -31.82 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 56.6 m-85 -71.12 -56.8 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.5 -21.0 22.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 61.47 44.32 9.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -100.58 179.16 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -108.77 136.52 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -135.26 148.44 49.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -89.6 -59.01 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -93.92 128.26 40.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.3 p -59.63 -40.42 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 31.4 mmtp -48.79 -50.77 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 24' ' ' ASN . 28.7 t-20 -59.1 -42.7 91.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.5 tp -55.4 -62.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HA ' HD12 ' A' ' 29' ' ' ILE . 19.1 mt -40.73 -57.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -55.21 -42.38 73.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -59.25 -42.7 91.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 26' ' ' ILE . 65.4 mt -53.09 -59.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -70.94 -11.86 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.61 -51.21 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.5 mmm -111.82 -39.62 4.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 12.1 m-70 -86.84 55.24 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -107.45 80.81 0.96 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 136.32 32.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.299 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -81.62 46.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 37' ' ' ASP . 7.6 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -138.46 155.89 48.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -128.18 112.59 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.57 -51.01 10.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -100.69 162.17 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -101.77 164.75 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.1 -56.51 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.573 HG22 HE22 ' A' ' 10' ' ' GLN . 4.7 mp -83.13 115.73 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 11' ' ' HIS . 22.5 pttp -142.62 127.06 17.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.573 HE22 HG22 ' A' ' 8' ' ' ILE . 2.9 mp0 -103.5 42.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 6.2 m-70 -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.7 t -41.13 121.46 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 13' ' ' ARG . 10.6 mtp-105 -84.23 23.14 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.49 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 65.3 m-85 -123.8 -57.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.1 p -99.31 -7.63 26.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 61.93 47.36 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -102.5 176.63 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -115.95 137.01 52.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -133.65 169.15 17.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.3 p -100.47 -59.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.51 138.08 43.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.1 p -62.27 -40.78 89.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.8 mptm? -47.29 -58.82 3.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -61.56 -41.42 97.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -52.08 -52.92 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 29' ' ' ILE . 25.4 mt -47.37 -52.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -46.97 -49.91 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -55.83 -44.12 77.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' HIS . 40.8 mt -54.59 -58.74 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -62.22 -17.52 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -57.0 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 65.5 mmm -96.89 -48.96 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.49 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 4.9 m-70 -97.75 59.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.68 143.75 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 158.99 55.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.614 2.21 . . . . 0.0 112.327 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -69.52 -49.97 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -63.85 135.66 56.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.389 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -150.67 176.46 10.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.92 177.11 27.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 t -69.72 88.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -163.33 171.03 16.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.36 161.03 25.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 9' ' ' LYS . 3.7 tp -166.73 141.85 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.947 0.403 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 20.5 mtmm -121.69 -46.64 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -54.62 104.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 9' ' ' LYS . 9.1 p80 -135.27 136.04 41.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.13 173.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -110.74 -39.81 4.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -76.17 -57.45 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.8 p -93.26 -14.46 26.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 mptt 53.14 47.53 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -83.86 -179.59 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -118.29 131.09 56.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.422 ' O ' HD11 ' A' ' 8' ' ' ILE . 33.6 m-85 -138.83 122.09 17.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 p -56.0 -65.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -89.01 114.39 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.6 HG22 ' CD1' ' A' ' 26' ' ' ILE . 4.0 p -46.98 -45.39 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.499 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 12.8 mptt -38.39 -40.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -38.96 66.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' VAL . 29.9 tp -55.28 -58.43 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 26' ' ' ILE . 4.2 mp -46.23 -49.75 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -60.51 -47.29 86.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.75 -51.05 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 33' ' ' HIS . 28.8 mt -56.53 -21.02 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -91.87 -12.72 32.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.06 -57.12 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 59.9 mmm -76.75 -48.96 17.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 29' ' ' ILE . 3.7 m-70 -114.9 51.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.83 142.65 63.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 177.08 5.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -49.32 -29.17 5.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -60.72 -49.18 78.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.884 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -59.43 137.38 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.12 -43.27 56.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -121.31 137.81 54.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -112.44 135.33 53.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.69 126.56 0.97 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.83 115.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 111.073 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.79 144.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.632 ' HG3' HG23 ' A' ' 22' ' ' VAL . 9.7 mm100 -116.95 146.81 42.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -131.26 136.77 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' HD11 ' A' ' 25' ' ' LEU . 1.8 t -62.82 174.25 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.814 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -111.01 -43.67 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 59.4 m-85 -73.06 -61.3 1.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -88.19 -17.11 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp 56.5 49.52 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -92.45 -177.55 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.25 132.3 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.82 131.29 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -62.07 -70.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -87.92 117.87 27.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' HG3' ' A' ' 10' ' ' GLN . 1.8 p -45.45 -30.89 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -50.21 -38.32 39.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.67 -22.26 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 12' ' ' CYS . 65.8 tp -75.38 -56.46 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 26' ' ' ILE . 3.0 mp -51.36 -44.6 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -36.09 69.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 31' ' ' ASP . 42.1 t60 -60.13 -52.18 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' HIS . 96.7 mt -43.02 -56.1 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -64.63 -19.19 65.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' HIS . 10.2 t70 -72.91 -49.81 27.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.2 mmm -111.98 -48.91 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 1.8 m-70 -91.99 57.01 3.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.98 142.62 69.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 85.9 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -97.55 -70.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -108.82 173.18 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -51.41 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -114.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.469 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m -72.5 163.43 28.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -123.49 158.92 30.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.34 129.77 1.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.854 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -114.05 158.52 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -131.22 171.18 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -105.09 76.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -93.15 133.79 35.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.68 177.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -113.08 -43.82 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.587 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 57.1 m-85 -76.21 -62.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.3 -7.36 58.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt 43.92 54.72 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -93.07 174.54 7.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -103.17 138.64 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.492 ' OH ' ' CG ' ' A' ' 28' ' ' HIS . 16.6 m-85 -138.42 167.53 21.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -90.9 -60.32 1.94 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.796 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.86 177.25 4.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 2.6 p -92.42 -41.53 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' H ' ' CD ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.55 -32.31 71.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -76.19 -33.21 59.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.95 HD13 ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.93 -60.23 2.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.95 ' N ' HD13 ' A' ' 25' ' ' LEU . 46.8 mt -40.15 -44.17 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -58.62 -49.21 78.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.492 ' CG ' ' OH ' ' A' ' 19' ' ' TYR . 10.4 t60 -52.04 -38.23 56.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.579 HG23 ' HB2' ' A' ' 33' ' ' HIS . 28.8 mt -71.78 -27.88 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -83.54 -11.66 57.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -101.88 -57.01 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtp -83.56 -48.02 10.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 14' ' ' PHE . 50.8 m-70 -91.86 54.62 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.6 t0 -111.04 80.82 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.88 31.79 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -110.28 92.63 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 p -66.13 131.02 45.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -125.62 153.2 44.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.1 67.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -121.5 -61.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.9 t -78.06 90.17 4.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 84.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -121.47 -30.44 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.922 0.392 . . . . 0.0 111.161 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -121.05 157.55 29.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -78.07 79.57 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -96.0 147.7 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.09 123.49 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 14' ' ' PHE . 9.1 ptp180 -85.04 22.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 13' ' ' ARG . 37.3 m-85 -125.02 -52.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.4 p -109.75 -5.85 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm 60.26 51.11 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -98.82 175.67 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -114.63 129.81 56.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -139.17 114.17 9.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -83.56 38.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -174.79 110.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG13 ' N ' ' A' ' 23' ' ' LYS . 7.9 p -54.82 -50.28 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.609 ' N ' HG13 ' A' ' 22' ' ' VAL . 4.1 mptt -48.3 -48.22 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.57 -39.16 70.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -58.0 -57.05 14.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.906 ' N ' HD13 ' A' ' 25' ' ' LEU . 34.9 mt -45.49 -47.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -53.74 -58.38 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -43.73 -63.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.683 HG23 ' HD2' ' A' ' 33' ' ' HIS . 47.7 mt -37.84 -65.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.724 ' NH1' HG23 ' A' ' 26' ' ' ILE . 7.2 mpt_? -65.54 -16.63 63.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 19.6 t70 -74.02 -42.67 59.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.0 mtp -108.46 -49.1 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.683 ' HD2' HG23 ' A' ' 29' ' ' ILE . 12.0 m-70 -69.78 -42.51 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . 2.0 p30 34.24 54.99 1.68 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.8 Cg_endo -69.69 -13.29 34.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -113.21 98.62 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 m -43.71 159.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -55.0 122.95 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.61 178.03 45.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 m -103.74 158.59 16.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -108.72 130.49 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.71 -170.77 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.9 mt -121.08 104.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -96.04 145.88 25.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -92.45 132.19 36.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -121.79 116.21 24.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -47.53 123.91 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -85.41 23.1 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.7 m-85 -123.56 -50.32 1.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -111.1 -4.77 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.05 49.92 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -102.11 176.27 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -116.96 130.54 56.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -138.85 110.73 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -45.11 -64.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' HB2' ' ND2' ' A' ' 24' ' ' ASN . 7.6 m-20 -97.02 134.83 39.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.8 p -61.05 -42.12 91.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 15.2 mtpt -38.67 -47.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 21' ' ' ASP . 19.8 m-80 -66.6 -39.81 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 22' ' ' VAL . 61.3 tp -50.6 -60.98 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 26' ' ' ILE . 2.8 mp -43.02 -60.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' ARG . 29.9 mtpp -49.59 -38.83 33.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -67.89 -35.34 78.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.638 HG23 ' HB2' ' A' ' 33' ' ' HIS . 74.9 mt -74.67 -43.07 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CG ' ' HA ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -72.92 -18.64 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -95.24 -46.02 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.8 mtp -94.06 -44.15 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' HB2' HG23 ' A' ' 29' ' ' ILE . 82.6 m-70 -96.6 59.78 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -107.6 81.44 1.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.854 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.91 8.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.217 . . . . 0.0 112.394 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -53.82 -55.45 26.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m -93.99 -47.99 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m 61.61 42.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.39 -63.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -78.98 103.88 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -66.03 151.14 47.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.76 64.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 9' ' ' LYS . 43.3 pt -58.66 -35.05 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' N ' HG13 ' A' ' 8' ' ' ILE . 16.6 ttpp -46.72 146.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -137.97 128.79 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 8.3 p-80 -110.21 137.27 48.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -71.33 122.92 21.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -84.14 33.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 21.9 m-85 -135.05 -45.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.1 p -116.45 -7.67 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 62.67 47.41 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -105.58 178.84 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -122.39 138.89 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.5 m-85 -137.67 115.97 11.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 19' ' ' TYR . 13.4 p -36.85 -59.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -105.35 152.0 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG22 ' CD1' ' A' ' 26' ' ' ILE . 8.8 p -75.05 -38.6 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -44.35 -42.9 7.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -37.39 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.05 -61.8 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.678 ' CD1' HG22 ' A' ' 22' ' ' VAL . 3.0 mp -41.77 -55.51 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -60.9 -45.33 95.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' ASP . 8.3 t60 -49.47 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.486 HG23 ' HD2' ' A' ' 33' ' ' HIS . 84.7 mt -37.81 -67.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -63.51 -16.12 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.5 t70 -67.43 -46.5 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 45.4 mmm -111.86 -48.82 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.486 ' HD2' HG23 ' A' ' 29' ' ' ILE . 14.0 m-70 -64.57 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.818 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.0 t70 61.46 52.51 2.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.77 145.2 56.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -142.59 122.87 13.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -91.3 150.48 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -83.47 124.39 30.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.15 142.81 4.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -137.09 116.24 12.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -125.57 150.06 47.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.76 138.08 5.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.3 mp -102.54 119.74 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -116.37 -44.7 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 26.8 mp0 -97.49 97.47 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -116.93 142.42 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 t -63.01 171.95 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -110.27 -46.14 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -68.5 -62.19 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -85.81 -14.31 45.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp 49.84 50.85 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -91.77 179.03 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -110.72 119.79 40.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -123.38 153.24 40.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.1 m -63.28 -58.69 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -126.04 178.62 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.503 HG13 ' HE3' ' A' ' 23' ' ' LYS . 1.9 p -81.46 -33.77 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' HE3' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -49.79 -49.35 48.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.8 -39.92 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.96 -55.68 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.4 mt -42.06 -56.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -52.7 -48.25 66.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 31' ' ' ASP . 10.9 t60 -55.81 -50.39 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' HIS . 69.3 mt -38.83 -51.17 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.9 -26.6 62.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' HIS . 17.4 t0 -58.19 -51.12 71.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mtp -111.99 -48.73 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ILE . 2.5 m-70 -90.5 56.49 3.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -73.33 138.67 78.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.497 ' O ' ' N ' ' A' ' 37' ' ' ASP . 54.2 Cg_endo -69.69 2.63 3.32 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' PRO . 18.8 tt0 -34.46 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' PRO . 72.0 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -53.56 -53.17 55.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -126.07 107.09 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -105.53 -38.29 2.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -83.98 37.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' GLY . . . 75.45 155.65 5.29 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.538 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.8 mt -62.57 134.48 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -69.98 78.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -79.33 98.98 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -106.26 146.19 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -66.99 125.48 26.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -86.42 28.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -127.69 -45.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.0 p -122.75 5.2 9.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm 59.04 54.27 5.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 28' ' ' HIS . 8.3 mmtp -89.53 171.17 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -120.45 121.01 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 28' ' ' HIS . 35.9 m-85 -137.31 143.53 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -83.41 -60.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.86 116.19 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 23' ' ' LYS . 5.2 p -43.11 -47.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' N ' HG13 ' A' ' 22' ' ' VAL . 58.8 mmtt -40.53 -36.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.08 -36.89 66.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 22' ' ' VAL . 24.5 tp -56.63 -58.76 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 26' ' ' ILE . 5.1 mp -47.79 -43.76 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -67.93 -45.36 74.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 17' ' ' LYS . 4.6 t60 -48.18 -56.06 8.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 33' ' ' HIS . 46.8 mt -39.31 -67.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.4 mtt-85 -63.9 -12.9 41.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' HIS . 6.9 t0 -76.8 -46.75 23.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 42.4 mtp -106.26 -48.85 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' ILE . 11.3 m-70 -67.25 -61.02 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 45.0 t0 59.16 53.82 4.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.74 152.98 69.52 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -113.75 94.97 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.2 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 p -166.87 117.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -80.66 -56.08 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.2 87.1 0.92 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 t 47.83 41.76 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.9 m -140.63 111.8 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.32 129.35 9.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.415 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 15.2 pt -118.77 -35.96 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.78 116.14 6.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -94.98 79.35 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -134.53 139.77 45.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 t -62.79 172.27 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -111.4 -43.45 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -66.62 -65.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -85.22 -11.29 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp 49.17 52.92 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -97.9 167.4 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -103.27 139.54 38.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -138.65 130.88 28.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -63.7 -53.79 45.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.73 122.94 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.579 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.1 p -52.55 -44.1 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 22' ' ' VAL . 7.8 mtpm? -40.78 -39.62 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -69.16 -39.28 78.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 22' ' ' VAL . 53.8 tp -55.72 -59.48 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.703 ' H ' HD12 ' A' ' 26' ' ' ILE . 5.1 mp -43.49 -56.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -59.62 -42.65 93.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' ASP . 12.5 t60 -53.74 -58.04 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' HIS . 49.3 mt -38.14 -59.5 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -65.9 -24.61 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' HIS . 27.0 t70 -69.25 -55.73 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mtp -97.57 -48.28 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 29' ' ' ILE . 7.8 m-70 -97.27 59.95 1.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -65.36 137.16 96.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.554 0.692 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -2.83 10.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 48.29 36.65 7.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -117.76 -56.53 2.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -136.75 140.55 42.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.09 111.33 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -157.27 157.58 34.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -136.81 120.61 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.63 -47.42 3.72 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.465 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -60.32 146.43 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.42 39.38 2.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -108.42 41.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -101.67 121.22 41.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 t -54.74 127.5 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -82.8 1.13 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 42.9 m-85 -99.25 -60.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -92.67 -2.78 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.61 43.77 25.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -99.3 178.46 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -122.57 133.3 54.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -131.46 147.31 52.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -75.79 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.62 137.39 34.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 23' ' ' LYS . 7.1 p -62.75 -50.49 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.61 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -48.94 -34.7 13.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -65.29 -34.73 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.5 tp -71.16 -58.17 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.577 HD11 HG22 ' A' ' 22' ' ' VAL . 3.5 mp -38.84 -49.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -65.68 -47.2 76.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -45.63 -50.33 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.574 HG23 ' HB2' ' A' ' 33' ' ' HIS . 23.1 mt -55.56 -31.15 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -80.3 -10.94 59.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.74 -55.32 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 mmm -84.97 -45.38 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' HB2' HG23 ' A' ' 29' ' ' ILE . 51.5 m-70 -95.15 56.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.7 OUTLIER -107.67 80.93 1.03 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 131.82 21.94 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.661 2.241 . . . . 0.0 112.296 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -115.89 -43.12 3.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -128.87 -55.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -83.0 172.14 13.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.27 112.23 3.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -111.19 42.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t 53.6 42.04 31.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 80.91 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.5 pt -134.54 147.74 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -171.59 151.75 3.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -137.59 107.03 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -111.21 138.72 47.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.02 123.4 20.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -85.18 31.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.33 -47.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -120.88 12.17 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 48.32 45.28 20.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -98.89 171.42 8.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -118.68 145.22 45.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -137.18 154.41 50.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 p -61.52 -57.66 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.39 162.48 25.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 3.6 p -63.62 -41.63 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 44.0 mttt -48.35 -45.5 35.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -67.82 -41.86 82.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' HD11 ' A' ' 29' ' ' ILE . 62.4 tp -53.8 -61.11 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.457 ' HA ' HD12 ' A' ' 29' ' ' ILE . 98.6 mt -41.22 -58.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -46.62 -47.22 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.481 ' HA ' ' CE ' ' A' ' 32' ' ' MET . 13.1 t60 -61.75 -29.2 69.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 26' ' ' ILE . 34.6 mt -80.67 -29.16 11.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -94.94 -6.71 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.38 -56.54 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' A' ' 32' ' ' MET . 2.7 mpp? -92.41 -48.56 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' O ' ' HD3' ' A' ' 35' ' ' PRO . 38.8 m-70 -84.49 51.59 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER -107.56 78.13 0.67 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 33' ' ' HIS . 53.4 Cg_endo -69.8 155.09 66.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -67.06 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 p -56.12 116.33 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -86.51 152.96 22.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.45 62.41 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -52.7 -61.35 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -118.92 47.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.37 -75.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.774 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -137.37 117.41 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 111.156 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.774 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -123.84 169.45 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -121.91 45.89 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -109.6 132.84 53.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.41 174.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -113.5 -46.79 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CD1' ' CB ' ' A' ' 33' ' ' HIS . 59.6 m-85 -67.22 -63.27 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 p -90.91 -7.11 53.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 44.27 52.08 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -93.26 178.04 5.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -116.78 137.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.25 166.45 21.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.1 t -70.46 -53.4 16.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.52 166.29 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.436 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 2.8 p -71.42 -38.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 8.0 mmpt? -50.31 -50.23 51.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -62.15 -41.71 98.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.15 -58.71 6.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.499 ' HA ' HD12 ' A' ' 29' ' ' ILE . 87.4 mt -41.33 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -51.0 -46.99 61.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -56.73 -49.19 75.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 26' ' ' ILE . 91.7 mt -45.68 -52.74 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -71.17 -19.29 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.09 -43.55 57.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.8 mtp -112.05 -49.03 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.595 ' CB ' ' CD1' ' A' ' 14' ' ' PHE . 2.5 m-70 -96.73 58.8 1.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 134.52 95.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.718 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.02 19.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -106.46 42.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -127.04 177.14 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -133.7 148.98 51.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.52 161.82 14.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -111.66 -53.73 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -71.01 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.29 94.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 tp -124.55 132.46 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -73.73 134.37 43.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -86.04 109.89 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 p-80 -122.09 146.7 46.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.83 173.04 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -109.11 -40.22 5.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -77.06 -60.89 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.5 p -87.4 -12.62 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt 51.09 50.37 19.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -96.51 152.2 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 133.67 33.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -128.21 166.14 19.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -91.93 -51.84 5.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.93 167.59 10.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 p -88.53 -37.76 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -58.66 -45.51 89.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -64.52 -40.95 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.65 -61.07 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.8 mt -38.8 -49.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.67 -47.76 76.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ASP . 13.4 t60 -53.87 -53.91 45.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' HIS . 75.4 mt -37.64 -53.38 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -70.77 -28.08 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' HIS . 3.3 t70 -59.85 -48.98 79.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 92.3 mmm -110.44 -48.19 3.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.0 m-70 -93.28 57.85 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -71.08 134.55 85.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 53.6 Cg_endo -69.76 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' PRO . 41.4 tt0 -34.41 -47.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 m -131.35 157.51 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -100.04 -46.97 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.81 -74.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -69.65 92.35 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -152.64 126.12 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.89 -163.42 28.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mm 59.17 51.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.391 . . . . 0.0 111.195 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -121.4 136.33 54.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -119.53 112.53 19.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -108.88 131.42 55.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.1 t -47.07 173.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -106.75 -42.8 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -75.73 -66.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' LYS . 16.2 p -84.2 -1.51 55.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' CYS . 16.9 mttp 36.94 50.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -89.34 174.95 7.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -106.57 133.05 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.3 m-85 -138.21 112.78 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 19' ' ' TYR . 21.9 t -37.13 -63.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 37.6 t70 -99.82 171.59 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 26' ' ' ILE . 1.9 p -95.67 -32.33 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -49.62 -39.34 35.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 21' ' ' ASP . 6.4 p30 -74.69 -33.15 62.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.89 -57.84 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 22' ' ' VAL . 3.5 mp -43.63 -47.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.78 -37.32 73.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 31' ' ' ASP . 20.1 t60 -59.64 -57.46 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' HIS . 74.5 mt -36.94 -54.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.4 mtt-85 -72.14 -26.95 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' HIS . 9.0 t0 -62.73 -47.98 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 94.5 mmm -108.29 -47.7 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.8 m-70 -96.28 59.06 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' PRO . 0.8 OUTLIER -70.23 134.55 87.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.463 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 53.5 Cg_endo -69.81 140.1 41.67 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 tt0 -37.4 -49.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -128.62 137.16 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 48.99 42.23 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.03 66.95 0.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -89.34 152.6 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -89.28 81.06 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.47 -132.51 2.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mt 48.16 50.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -105.93 -44.55 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -98.51 115.12 27.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -133.74 133.89 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.56 174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -113.01 -40.73 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -72.3 -61.07 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 23.6 p -89.97 -9.14 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER 48.23 51.81 14.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -89.51 176.06 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -111.21 133.13 53.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -133.49 166.75 21.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -80.03 -59.01 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -121.72 170.75 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 1.6 p -74.66 -28.7 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 22' ' ' VAL . 10.5 mmpt? -63.58 -36.87 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -78.9 -33.49 45.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.0 tp -66.01 -50.81 62.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 mt -50.45 -56.32 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -45.93 -40.4 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 31' ' ' ASP . 6.4 t60 -65.67 -56.14 13.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' HIS . 73.1 mt -39.72 -57.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -64.69 -23.57 67.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 28' ' ' HIS . 11.5 t70 -70.25 -57.01 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 76.9 mmm -97.28 -48.82 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.8 m-70 -96.28 59.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -66.05 136.93 95.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.738 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.86 28.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -102.96 85.45 2.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -95.55 155.09 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -162.45 146.89 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.72 40.44 1.61 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.552 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -55.96 -54.38 45.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -127.89 97.94 4.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.06 -156.71 15.44 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.2 pt -140.96 119.71 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.381 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -100.13 149.44 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -141.43 158.43 43.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -124.77 131.42 53.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' HA ' HD11 ' A' ' 25' ' ' LEU . 2.2 t -53.81 169.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -107.46 -46.69 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 76.7 m-85 -66.21 -65.22 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 p -81.16 -21.11 39.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 58.66 46.99 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -90.38 176.04 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -116.25 129.07 56.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.45 168.29 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -76.08 -57.99 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.67 169.93 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.13 -33.01 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -52.25 -48.22 65.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.94 -43.72 82.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 12' ' ' CYS . 34.1 tp -52.51 -60.05 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -44.09 -55.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -55.44 -43.68 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.8 t60 -55.29 -55.68 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.455 HG23 ' HD2' ' A' ' 33' ' ' HIS . 97.9 mt -36.48 -68.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.49 -18.72 62.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 28' ' ' HIS . 8.8 t0 -64.47 -46.37 83.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.5 mmm -111.97 -49.15 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.455 ' HD2' HG23 ' A' ' 29' ' ' ILE . 15.7 m-70 -63.9 -44.22 93.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 36.4 t70 39.92 55.01 6.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 53.7 Cg_endo -69.74 98.24 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.12 -42.88 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -96.0 146.88 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -114.19 161.98 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.12 95.04 1.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -149.17 155.14 40.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -104.03 108.92 20.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.81 -161.5 12.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.775 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -139.22 143.88 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 111.169 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -35.5 122.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.02 113.55 27.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 18' ' ' LYS . 32.1 m-70 -98.67 121.98 41.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.0 t -45.6 164.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -109.61 -36.36 5.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.44 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 99.0 m-85 -70.79 -57.97 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.4 p -89.73 -22.61 22.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.45 47.63 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -99.98 174.71 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' A' ' 11' ' ' HIS . 22.3 tttp -107.41 131.62 54.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -128.91 148.12 50.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -68.51 -60.13 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.17 178.3 4.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 4.1 p -91.71 -42.2 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 1.6 mppt? -47.4 -42.82 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -68.55 -41.52 79.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.6 tp -56.74 -56.91 15.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' A' ' 29' ' ' ILE . 59.1 mt -42.72 -57.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -50.92 -43.12 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -62.03 -51.42 68.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 33' ' ' HIS . 42.9 mt -38.48 -53.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -70.3 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.31 -56.13 6.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 36.5 mmm -99.71 -49.06 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.1 m-70 -93.75 58.69 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.94 131.74 88.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 95.29 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -110.77 101.57 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -67.14 150.64 48.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -96.66 146.12 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.05 152.58 9.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.542 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -116.9 86.12 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -143.93 163.22 34.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.03 165.11 12.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.5 mt -115.83 -51.09 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 111.071 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -84.01 -57.96 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.5 mp0 -123.82 111.12 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -129.69 103.64 6.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.04 123.82 2.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -84.72 24.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HB2' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m-85 -128.17 -51.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.7 p -105.94 -2.23 23.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? 54.85 47.18 22.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -106.28 178.35 4.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 135.88 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.435 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . 15.3 m-85 -138.31 111.03 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -56.2 -58.96 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -82.37 138.04 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 p -73.54 -34.25 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.7 pttp -65.62 -36.03 82.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -70.0 -40.42 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 10' ' ' GLN . 39.4 tp -63.97 -55.16 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' A' ' 29' ' ' ILE . 66.9 mt -47.32 -58.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -52.36 -41.24 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -59.36 -44.16 92.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' HIS . 56.5 mt -47.77 -52.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -72.13 -25.88 61.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -67.29 -56.05 11.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.9 mtp -94.7 -49.08 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 14' ' ' PHE . 6.2 m-70 -97.72 58.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -61.93 131.29 93.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.555 0.693 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 152.43 69.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.277 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' CD ' ' O ' ' A' ' 36' ' ' GLN . 5.4 pp0? -173.98 127.09 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_