data_2ytd_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 2ytd _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.944 0.402 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -139.1 135.27 33.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -74.93 118.93 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -96.27 44.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.01 -43.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.6 -44.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.13 34.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.2 mttm -99.05 165.15 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.12 144.24 26.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.427 ' CE1' HD12 ' A' ' 28' ' ' LEU . 3.0 m-85 -141.59 159.0 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -88.67 -36.22 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.98 107.48 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -37.65 -42.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -43.61 -61.01 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -50.05 -56.23 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 22' ' ' PHE . 22.4 tp -43.5 -53.6 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -55.32 -48.85 73.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -55.32 -31.45 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.3 t60 -72.41 -55.83 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' HIS . 27.5 mtt-85 -40.24 -31.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.3 mtp85 -43.03 -42.01 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 pp -73.03 -28.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ARG . 19.6 m-70 -71.88 -31.49 66.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.936 0.398 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -97.73 126.3 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.3 132.4 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -91.44 -25.56 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.55 -56.99 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -102.28 -41.44 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -112.1 169.38 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.28 132.55 20.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE1' HD12 ' A' ' 28' ' ' LEU . 16.4 m-85 -123.43 157.02 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.04 -49.59 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -101.26 161.82 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -73.18 -46.58 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 m -43.58 -46.57 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -60.39 -55.91 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 22' ' ' PHE . 23.9 tp -52.15 -55.42 21.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -45.12 -47.63 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.94 -54.82 40.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -49.32 -52.15 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -39.03 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.4 mtt-85 -49.59 -50.37 42.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.99 -18.59 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 -32.54 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.13 123.63 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.17 111.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -85.47 40.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -133.43 -40.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -123.58 -37.06 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.11 58.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -128.34 128.96 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.07 137.0 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.45 176.45 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -103.72 -35.27 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -112.78 121.99 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.4 t-160 -41.91 -59.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.8 m -37.12 -53.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -50.76 -44.39 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' HIS . 9.2 tp -63.06 -60.11 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -46.07 -38.68 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.66 -31.73 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -63.33 -39.5 94.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' HIS . 51.0 mtp85 -62.85 -15.01 52.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -44.84 -32.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' ND1' ' A' ' 35' ' ' HIS . 2.9 pt -76.28 -30.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' ARG . 17.9 m-70 -87.62 -5.65 58.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' CE2' ' CD2' ' A' ' 25' ' ' HIS . 2.9 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -130.46 124.95 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -62.69 122.31 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.4 t -93.91 37.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.2 mp0 -127.42 -32.11 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -134.73 -47.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.28 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -129.01 119.45 24.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.777 0.322 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.66 147.88 35.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 31.4 m-85 -136.4 128.3 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -55.6 -22.95 24.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -116.42 118.23 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.791 ' CD2' ' CE2' ' A' ' 13' ' ' TYR . 1.4 m170 -46.51 -51.44 15.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.54 -40.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -68.44 -52.99 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.59 -56.52 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -43.87 -33.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.5 t60 -46.48 -52.41 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.19 -25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.0 mtp-105 -51.02 -44.57 61.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.22 -22.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' N ' HG13 ' A' ' 34' ' ' ILE . 46.0 m-70 -87.6 -34.49 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -86.36 140.32 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.3 118.45 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 t -90.84 37.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.3 mp0 -127.82 -33.59 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.01 -47.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.67 45.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 7.2 mtpm? -115.68 172.03 7.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 134.51 28.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -126.83 158.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -94.3 -44.91 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -98.7 125.37 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' THR . 10.4 t-80 -39.07 -57.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' HIS . 96.4 m -34.43 -46.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.54 -52.61 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 tp -57.66 -51.03 71.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -60.21 -61.97 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.44 -30.85 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.4 t60 -72.61 -55.57 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -38.89 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 50.5 mtm180 -49.61 -52.39 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.55 -17.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.1 m-70 -99.58 -28.02 13.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.94 0.4 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -136.54 106.01 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 t -48.41 127.91 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -104.74 42.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -130.01 -38.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -129.3 -41.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 33.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 8.9 tptm -96.03 154.87 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.16 141.14 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 78.0 m-85 -137.24 138.55 40.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 15.7 t60 -66.41 -37.76 85.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 55.6 mtt180 -105.11 143.83 32.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -60.53 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -44.54 -47.53 10.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -58.25 -52.76 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 tp -51.87 -52.49 49.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -56.9 -46.6 81.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.85 -17.52 37.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' HD13 ' A' ' 34' ' ' ILE . 38.7 t60 -90.66 -50.23 6.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -43.23 -23.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mtt85 -49.59 -47.07 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.505 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -63.08 -18.62 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.97 -25.1 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.428 ' O ' ' CG2' ' A' ' 36' ' ' THR . 4.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 53.9 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -107.26 139.54 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.1 t -78.57 154.73 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -110.28 -28.86 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.1 mm-40 -58.79 -49.79 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.85 -47.75 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.24 28.46 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -96.95 133.78 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 146.2 35.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -124.85 173.49 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -83.06 -55.35 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -105.17 138.06 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.8 t-80 -44.85 -57.7 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.3 m -37.53 -52.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -53.09 -48.6 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -58.2 -52.13 66.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -48.25 -55.75 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.35 -35.33 60.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.3 t60 -69.13 -47.99 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -43.3 -23.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' THR . 51.1 mtt180 -50.73 -48.89 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' CE1' ' A' ' 35' ' ' HIS . 17.6 pt -45.26 -23.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CE1' HD11 ' A' ' 34' ' ' ILE . 68.0 m-70 -98.12 -26.06 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ARG . 3.7 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CE1' ' CG ' ' A' ' 25' ' ' HIS . 1.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.927 0.394 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -152.89 120.09 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -72.59 107.51 5.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -71.5 -36.95 71.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -41.65 -60.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.82 -38.44 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.11 37.17 1.7 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -114.19 124.35 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.0 160.65 15.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 10.2 m-85 -148.57 153.52 38.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -82.01 -31.64 30.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.51 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -98.34 98.05 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 5.7 t-160 -43.57 -31.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -62.87 -51.13 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CG ' ' HG3' ' A' ' 24' ' ' ARG . 11.8 m170 -57.67 -49.02 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -47.88 -56.35 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -47.85 -42.61 26.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 9.7 mm-40 -66.11 -26.03 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -78.14 -54.24 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -39.89 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtm105 -49.82 -44.37 49.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 pt -50.01 -23.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -88.9 -32.66 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -167.03 127.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.96 154.61 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -110.44 -37.44 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -48.97 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -98.0 -40.12 8.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.13 38.21 2.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -106.18 130.39 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.31 149.34 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.078 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 93.5 m-85 -132.77 148.93 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -75.92 -23.18 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -129.99 152.33 49.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 29' ' ' ASN . 57.8 t-80 -65.46 -50.05 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 1.3 t -37.61 -42.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 23.3 m170 -65.72 -58.81 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -51.02 -47.73 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 42.3 t30 -54.01 -55.81 23.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.85 -24.73 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -65.24 -45.28 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -51.5 -17.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -47.33 -38.9 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.4 pt -70.56 -25.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' N ' HG13 ' A' ' 34' ' ' ILE . 47.7 m-70 -85.98 -33.88 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.875 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.977 0.418 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -120.95 105.92 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 19' ' ' GLY . 29.2 t -52.35 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -61.43 -31.48 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -60.34 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.86 -41.53 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.91 25.73 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -86.71 167.72 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.51 145.49 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -139.76 162.33 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -91.89 -41.58 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -101.65 116.21 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -37.89 -50.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p -41.43 -53.13 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -51.06 -54.17 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.83 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -39.14 -56.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -55.58 -43.38 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -59.35 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -46.21 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 35.6 mtp180 -50.3 -43.79 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -59.01 -21.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -90.0 -19.93 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.185 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 67.1 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -124.9 127.18 46.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.21 110.41 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -74.74 -31.83 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.538 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 6.7 mp0 -49.04 -59.56 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.66 -37.16 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.61 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -115.31 178.42 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.74 143.71 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.33 164.87 26.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.59 -36.77 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.78 136.29 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.6 t-80 -59.49 -27.67 66.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -27.83 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -80.73 -47.32 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.62 -49.23 78.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -55.07 -43.72 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -68.08 -53.92 21.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -46.33 -20.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -52.51 -34.89 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.8 pt -65.21 -24.95 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 72.0 m-70 -80.61 -14.9 57.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -154.16 107.72 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.48 125.13 16.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -86.15 -27.93 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -52.25 -51.68 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 p -108.87 -40.34 5.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 39.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -107.03 164.07 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.44 142.42 50.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -128.4 149.62 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.17 -49.08 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 -114.6 150.41 35.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 26' ' ' THR . 5.7 p-80 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 52.0 p -43.94 -48.94 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.25 -54.09 47.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -53.14 -57.82 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -54.95 -22.46 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 6.2 t60 -82.97 -49.93 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' HIS . 49.7 mtt180 -34.5 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mpt_? -47.2 -49.74 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 5.8 pt -42.05 -25.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 83.7 m-70 -88.61 -34.2 17.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' ARG . 70.8 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 37.2 m-85 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -158.79 114.17 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.38 119.46 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -79.52 -31.73 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 69.2 mm-40 -46.97 -57.44 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.7 -39.35 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.13 36.92 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -100.68 165.33 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 142.39 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 86.9 m-85 -132.4 137.6 47.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.568 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -65.11 -32.53 74.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.568 ' CG ' ' CE1' ' A' ' 23' ' ' HIS . 13.2 mmp_? -116.38 152.62 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.5 t-80 -66.75 -45.64 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -44.53 -45.85 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.3 m-70 -62.89 -45.72 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.5 tp -59.19 -57.86 11.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -53.27 -52.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.35 -46.66 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.7 t60 -56.1 -50.66 70.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -42.17 -24.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 78.4 mtt-85 -47.43 -49.95 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.7 pt -52.36 -25.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 33.7 m-70 -89.78 -18.03 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 25' ' ' HIS . 58.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.989 0.423 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -130.33 111.78 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.05 119.12 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -88.05 37.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -126.79 -46.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.49 -48.8 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.21 39.19 0.46 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -111.03 154.27 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.12 139.49 53.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.21 162.15 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -88.48 -43.2 11.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.25 122.39 44.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.8 t-80 -47.68 -51.3 22.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 64.4 p -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -66.55 -55.26 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tp -48.95 -53.72 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 45.6 t-20 -58.08 -58.04 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 28.3 mt-10 -55.47 -15.92 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.3 t60 -89.46 -51.58 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -39.46 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' NE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -52.15 -45.68 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 31' ' ' HIS . 20.4 pt -47.53 -21.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -96.47 -24.22 16.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.2 134.34 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.56 117.18 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -92.17 40.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -130.33 -38.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -125.54 -44.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.02 37.67 0.6 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -118.9 125.19 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.79 160.31 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 21.1 m-85 -140.01 130.6 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -56.08 -34.12 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -113.64 154.92 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -75.96 -47.26 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -44.52 -31.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -77.59 -48.18 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 22' ' ' PHE . 9.4 tp -60.22 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 48.5 t30 -52.03 -39.71 59.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 7.9 tt0 -78.31 -23.63 47.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.2 t60 -70.63 -57.36 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -38.84 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -47.99 -47.29 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -58.75 -23.21 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' N ' HG13 ' A' ' 34' ' ' ILE . 26.8 m-70 -88.48 -17.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -82.74 125.45 31.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -71.36 108.68 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.405 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.9 m -88.97 39.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.7 mp0 -122.84 -36.78 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.1 -39.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 52.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -119.09 166.15 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.16 149.18 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 4.8 m-85 -144.11 147.08 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 45.5 p-80 -80.08 -34.89 37.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 19.8 mtm180 -102.64 148.45 25.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -64.62 -46.55 82.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -50.8 -42.01 57.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -60.43 -49.25 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 41.7 tp -53.8 -50.99 64.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -61.53 -54.49 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -45.02 -41.65 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ARG . 66.5 t60 -68.85 -55.66 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -41.69 -24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.9 mtp85 -49.91 -43.33 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -67.18 -18.58 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.91 -30.25 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 30.5 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.937 0.398 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 97.65 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 45.4 t -56.45 108.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -70.1 -33.72 72.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -43.84 -51.03 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.72 -37.13 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.23 32.52 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -86.41 164.48 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.51 134.63 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 38.2 m-85 -132.86 148.69 52.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -64.11 -52.97 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -104.0 166.06 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.501 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.6 t-80 -71.09 -48.36 52.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.3 p -40.15 -47.08 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 27.4 m170 -62.83 -53.87 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 10.6 tp -50.01 -54.54 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 28.5 t30 -59.27 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 44.4 mt-10 -46.39 -20.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' HD13 ' A' ' 34' ' ' ILE . 8.3 t60 -86.94 -53.41 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' HIS . 28.4 mtt-85 -37.78 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -49.57 -47.17 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 31' ' ' HIS . 8.6 pt -45.95 -20.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CE1' HD11 ' A' ' 34' ' ' ILE . 58.9 m-70 -91.15 -33.59 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 33' ' ' ARG . 65.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.956 0.407 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.75 146.84 30.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' LYS . 12.5 t -75.69 152.63 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -111.6 -31.95 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.25 -43.59 64.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.37 -38.08 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 18.35 5.16 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.12 159.88 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 141.57 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 69.7 m-85 -139.17 179.96 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -108.36 -45.69 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -109.47 137.91 46.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -46.13 -46.76 17.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 m -41.64 -59.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -54.76 -43.14 72.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 15.0 tp -58.89 -54.93 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -58.44 -35.81 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -48.3 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -58.72 -41.84 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -51.58 -16.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -52.67 -37.28 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -75.76 -22.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.413 ' N ' HG13 ' A' ' 34' ' ' ILE . 22.8 m-70 -86.57 -26.13 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.947 0.403 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -148.21 128.33 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -70.39 155.04 41.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 m -114.07 -33.38 5.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 17.3 mm-40 -50.81 -53.96 27.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.18 -43.8 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 37.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -94.97 -179.18 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.19 143.69 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.85 125.37 22.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -56.16 -23.0 32.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.53 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 1.1 mpp_? -126.61 142.16 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.7 t-160 -58.51 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' HIS . 85.5 m -34.25 -55.28 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -52.76 -47.24 67.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' HIS . 5.6 tp -57.97 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -41.48 -51.0 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.02 -56.7 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -49.34 -50.6 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -43.51 -29.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -51.69 -41.72 61.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -80.28 -33.55 37.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.892 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 2.1 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.15 140.55 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 t -92.38 117.32 29.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.49 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 93.7 p -92.89 38.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' A' ' 16' ' ' SER . 1.9 mp0 -125.15 -44.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -123.01 -48.42 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.58 52.36 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -132.54 123.44 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.3 146.88 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.041 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD13 ' A' ' 28' ' ' LEU . 15.0 m-85 -128.51 173.84 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 10.8 p80 -100.66 -41.42 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.86 148.41 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.0 m80 -56.75 -54.91 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' HIS . 3.3 p -35.25 -42.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -67.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 22' ' ' PHE . 57.6 tp -45.76 -47.15 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -61.66 -65.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -45.63 -31.88 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -73.26 -47.47 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -48.49 -18.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -52.8 -50.19 64.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 pt -54.97 -18.78 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -93.31 -24.11 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -102.53 163.35 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -137.17 142.32 42.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 157.49 -122.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 88.3 p 34.41 41.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.905 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -97.58 123.47 41.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.13 72.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.5 t -53.2 148.43 8.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 98.96 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -135.03 134.99 40.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -39.01 144.07 0.44 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.521 0.677 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.74 -33.2 17.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 24.9 m-85 -105.21 130.01 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -139.1 135.27 33.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -74.93 118.93 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -96.27 44.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.01 -43.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.6 -44.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.13 34.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.2 mttm -99.05 165.15 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.12 144.24 26.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.427 ' CE1' HD12 ' A' ' 28' ' ' LEU . 3.0 m-85 -141.59 159.0 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -88.67 -36.22 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.98 107.48 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -37.65 -42.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -43.61 -61.01 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -50.05 -56.23 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD12 ' CE1' ' A' ' 22' ' ' PHE . 22.4 tp -43.5 -53.6 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -55.32 -48.85 73.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -55.32 -31.45 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.456 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.3 t60 -72.41 -55.83 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' HIS . 27.5 mtt-85 -40.24 -31.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.3 mtp85 -43.03 -42.01 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 pp -73.03 -28.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ARG . 19.6 m-70 -71.88 -31.49 66.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 37' ' ' GLY . 14.9 t -83.26 34.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 36.06 88.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -90.31 93.13 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -112.08 144.13 30.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -77.12 131.1 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.41 -165.01 28.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.76 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 t -130.15 169.4 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 t -119.58 117.9 29.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.439 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -76.55 -55.91 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -66.88 168.78 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.09 -101.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m 56.08 46.0 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -102.26 92.34 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.07 -141.56 26.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.3 p -151.67 168.75 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.17 -137.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 55.75 45.79 23.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -126.28 70.34 69.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.77 -13.59 34.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -95.91 41.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -97.73 126.3 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.3 132.4 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -91.44 -25.56 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.55 -56.99 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -102.28 -41.44 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -112.1 169.38 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.28 132.55 20.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.453 ' CE1' HD12 ' A' ' 28' ' ' LEU . 16.4 m-85 -123.43 157.02 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.04 -49.59 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -101.26 161.82 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -73.18 -46.58 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 m -43.58 -46.57 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -60.39 -55.91 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 HD12 ' CE1' ' A' ' 22' ' ' PHE . 23.9 tp -52.15 -55.42 21.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -45.12 -47.63 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.94 -54.82 40.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -49.32 -52.15 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -39.03 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.4 mtt-85 -49.59 -50.37 42.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.99 -18.59 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 -32.54 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.85 96.58 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.65 -123.45 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -150.38 125.47 9.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.935 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -144.66 152.19 52.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.705 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.66 31.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -40.96 -67.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.28 155.39 13.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.24 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -157.73 120.48 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -112.38 135.07 53.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -125.25 122.16 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -169.51 129.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.44 163.55 25.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m 60.91 50.04 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.377 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.78 11.99 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.96 142.67 17.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -84.06 5.13 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.26 105.97 1.07 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -67.91 166.19 16.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -130.34 143.91 51.13 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.706 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.86 37.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -106.34 96.59 6.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.13 123.63 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.17 111.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -85.47 40.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -133.43 -40.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -123.58 -37.06 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.11 58.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -128.34 128.96 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.07 137.0 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.45 176.45 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -103.72 -35.27 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -112.78 121.99 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.4 t-160 -41.91 -59.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.8 m -37.12 -53.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -50.76 -44.39 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' HIS . 9.2 tp -63.06 -60.11 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -46.07 -38.68 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.66 -31.73 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -63.33 -39.5 94.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 35' ' ' HIS . 51.0 mtp85 -62.85 -15.01 52.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -44.84 -32.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' ND1' ' A' ' 35' ' ' HIS . 2.9 pt -76.28 -30.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 32' ' ' ARG . 17.9 m-70 -87.62 -5.65 58.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -124.89 158.59 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.57 58.5 7.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -72.6 163.17 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -86.56 143.93 36.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -126.58 118.18 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.49 37.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.7 18.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -110.69 111.7 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.3 p -144.01 113.18 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.448 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -165.64 127.76 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -95.3 129.7 42.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 78.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -119.55 114.29 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -115.73 110.75 19.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.53 111.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.3 p -126.96 -8.24 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.86 -31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.84 -55.67 24.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -111.28 80.92 2.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.534 0.683 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.16 15.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' CE2' ' CD2' ' A' ' 25' ' ' HIS . 2.9 m-85 -96.85 111.68 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -130.46 124.95 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -62.69 122.31 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.4 t -93.91 37.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.2 mp0 -127.42 -32.11 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -134.73 -47.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.28 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -129.01 119.45 24.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.777 0.322 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.66 147.88 35.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 31.4 m-85 -136.4 128.3 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -55.6 -22.95 24.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -116.42 118.23 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.791 ' CD2' ' CE2' ' A' ' 13' ' ' TYR . 1.4 m170 -46.51 -51.44 15.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.54 -40.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -68.44 -52.99 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.59 -56.52 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -43.87 -33.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.5 t60 -46.48 -52.41 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.19 -25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.0 mtp-105 -51.02 -44.57 61.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.22 -22.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' N ' HG13 ' A' ' 34' ' ' ILE . 46.0 m-70 -87.6 -34.49 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 p -75.45 144.4 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.54 -171.71 45.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -59.96 173.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' HD2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -103.45 143.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.7 . . . . 0.0 110.85 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.02 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -148.43 172.55 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.1 74.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.1 9.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.755 2.303 . . . . 0.0 112.302 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.4 t -136.51 108.57 7.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -74.58 149.91 39.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.466 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -118.11 -49.91 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -70.54 -43.1 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.81 137.29 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -107.5 -47.43 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -47.63 131.75 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.68 -69.77 1.04 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 t 52.28 44.18 30.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.81 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.16 62.07 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -89.95 72.79 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.78 71.36 67.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.14 9.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -86.06 64.93 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -86.36 140.32 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.3 118.45 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 t -90.84 37.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.3 mp0 -127.82 -33.59 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.01 -47.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.67 45.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 7.2 mtpm? -115.68 172.03 7.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 134.51 28.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -126.83 158.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -94.3 -44.91 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -98.7 125.37 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' THR . 10.4 t-80 -39.07 -57.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' HIS . 96.4 m -34.43 -46.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.54 -52.61 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 tp -57.66 -51.03 71.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -60.21 -61.97 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.44 -30.85 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.4 t60 -72.61 -55.57 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -38.89 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 50.5 mtm180 -49.61 -52.39 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.55 -17.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.1 m-70 -99.58 -28.02 13.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 t -116.48 117.69 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 163.73 32.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -90.49 151.67 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.39 . . . . 0.0 110.905 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -114.82 146.84 36.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 100.06 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m -53.61 128.54 29.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 146.16 10.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.73 33.56 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -49.09 132.69 19.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -70.57 153.95 42.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.504 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 t -134.61 112.56 10.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -75.54 82.23 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.73 179.87 16.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -145.27 144.64 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -110.83 148.64 31.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.95 76.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -116.29 122.64 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.19 130.73 10.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.51 -27.87 11.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -59.45 145.55 81.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -79.89 123.96 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -136.54 106.01 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 t -48.41 127.91 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -104.74 42.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -130.01 -38.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -129.3 -41.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 33.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 8.9 tptm -96.03 154.87 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.16 141.14 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 78.0 m-85 -137.24 138.55 40.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 15.7 t60 -66.41 -37.76 85.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 55.6 mtt180 -105.11 143.83 32.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -60.53 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -44.54 -47.53 10.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -58.25 -52.76 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 tp -51.87 -52.49 49.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -56.9 -46.6 81.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.85 -17.52 37.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' HD13 ' A' ' 34' ' ' ILE . 38.7 t60 -90.66 -50.23 6.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -43.23 -23.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mtt85 -49.59 -47.07 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.505 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -63.08 -18.62 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.97 -25.1 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.428 ' O ' ' CG2' ' A' ' 36' ' ' THR . 4.3 t -113.99 124.01 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.58 37.23 24.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -70.74 157.44 38.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -132.46 147.84 67.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.832 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.65 26.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -169.6 124.48 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.1 143.25 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.73 26.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.376 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -116.03 82.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t 40.33 43.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.471 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -69.41 171.27 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -155.12 165.67 35.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.04 149.85 18.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -101.11 43.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -116.37 123.33 47.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.3 111.53 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 t -73.5 -50.5 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.75 155.95 8.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -118.89 124.15 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 152.95 92.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.546 0.689 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -3.41 11.97 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 53.9 m-85 -110.81 73.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -107.26 139.54 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.1 t -78.57 154.73 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -110.28 -28.86 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.1 mm-40 -58.79 -49.79 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.85 -47.75 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.24 28.46 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -96.95 133.78 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 146.2 35.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -124.85 173.49 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -83.06 -55.35 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -105.17 138.06 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.8 t-80 -44.85 -57.7 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.3 m -37.53 -52.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -53.09 -48.6 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 tp -58.2 -52.13 66.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -48.25 -55.75 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.35 -35.33 60.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.3 t60 -69.13 -47.99 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -43.3 -23.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' THR . 51.1 mtt180 -50.73 -48.89 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' CE1' ' A' ' 35' ' ' HIS . 17.6 pt -45.26 -23.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CE1' HD11 ' A' ' 34' ' ' ILE . 68.0 m-70 -98.12 -26.06 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' ARG . 3.7 t -118.77 74.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.13 -47.55 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -146.74 131.13 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -132.41 149.97 74.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.03 51.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -75.25 -64.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.29 146.47 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.23 37.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.1 t -94.52 126.07 39.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t 69.76 45.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.5 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -173.26 118.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -125.15 152.31 44.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.27 -150.0 5.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -149.83 165.54 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -115.41 169.81 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.69 159.19 22.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -95.65 157.45 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.821 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 44.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.28 44.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -129.05 80.92 71.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.53 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -40.54 5.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CE1' ' CG ' ' A' ' 25' ' ' HIS . 1.3 m-85 -112.71 131.82 55.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -152.89 120.09 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -72.59 107.51 5.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -71.5 -36.95 71.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -41.65 -60.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.82 -38.44 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.11 37.17 1.7 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -114.19 124.35 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.0 160.65 15.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 10.2 m-85 -148.57 153.52 38.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -82.01 -31.64 30.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.51 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -98.34 98.05 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 5.7 t-160 -43.57 -31.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -62.87 -51.13 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.51 ' CG ' ' HG3' ' A' ' 24' ' ' ARG . 11.8 m170 -57.67 -49.02 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -47.88 -56.35 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -47.85 -42.61 26.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 9.7 mm-40 -66.11 -26.03 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -78.14 -54.24 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -39.89 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtm105 -49.82 -44.37 49.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 pt -50.01 -23.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -88.9 -32.66 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -99.01 82.56 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.32 68.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -162.97 154.05 17.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -81.64 143.97 51.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.8 33.89 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -117.67 41.93 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.61 83.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m 54.57 42.93 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 m -101.83 96.55 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -119.66 42.06 2.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m 39.85 42.08 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 -94.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -166.69 132.29 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -55.39 173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.27 -101.35 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 p -40.16 112.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.41 67.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -137.23 136.91 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -117.89 140.98 28.45 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.82 -50.4 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.455 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 3.6 m-85 -106.78 147.65 29.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -167.03 127.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.96 154.61 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -110.44 -37.44 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -48.97 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -98.0 -40.12 8.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.13 38.21 2.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -106.18 130.39 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.31 149.34 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.078 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 93.5 m-85 -132.77 148.93 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -75.92 -23.18 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -129.99 152.33 49.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 29' ' ' ASN . 57.8 t-80 -65.46 -50.05 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 1.3 t -37.61 -42.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 23.3 m170 -65.72 -58.81 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -51.02 -47.73 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 42.3 t30 -54.01 -55.81 23.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.85 -24.73 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -65.24 -45.28 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -51.5 -17.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -47.33 -38.9 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.4 pt -70.56 -25.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' N ' HG13 ' A' ' 34' ' ' ILE . 47.7 m-70 -85.98 -33.88 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 p -64.32 127.77 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.47 153.18 44.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -37.87 141.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -136.16 147.73 61.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -65.87 92.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.11 146.18 9.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 119.22 6.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -124.87 89.67 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -170.45 164.92 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.52 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -163.63 135.22 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -140.5 155.34 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.84 -138.67 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -101.58 81.63 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -91.19 -55.39 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.06 96.42 1.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -62.76 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.43 105.25 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.94 134.86 18.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -93.01 143.92 27.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -42.18 3.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -94.91 88.42 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -120.95 105.92 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 19' ' ' GLY . 29.2 t -52.35 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -61.43 -31.48 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -60.34 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.86 -41.53 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.91 25.73 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -86.71 167.72 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.51 145.49 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -139.76 162.33 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -91.89 -41.58 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -101.65 116.21 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -37.89 -50.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p -41.43 -53.13 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -51.06 -54.17 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.83 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -39.14 -56.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -55.58 -43.38 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -59.35 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -46.21 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 35.6 mtp180 -50.3 -43.79 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -59.01 -21.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -90.0 -19.93 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.434 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -114.49 118.73 34.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.185 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.27 45.37 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -80.66 163.38 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 25.0 ttp180 -66.3 140.19 96.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.4 Cg_endo -69.8 169.57 18.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -91.02 103.16 15.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.38 -95.01 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.1 p -58.61 163.76 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -115.43 -62.3 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.467 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -134.35 132.19 39.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -74.26 142.1 45.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.94 44.21 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -45.5 147.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -131.41 -43.76 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.07 -144.92 18.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 p 43.62 41.45 3.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.05 61.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -123.48 -43.81 2.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -70.03 140.8 88.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -36.94 9.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.435 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.1 m-85 -100.89 98.68 9.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -124.9 127.18 46.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.21 110.41 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -74.74 -31.83 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 6.7 mp0 -49.04 -59.56 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.66 -37.16 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.61 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -115.31 178.42 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.74 143.71 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.33 164.87 26.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.59 -36.77 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.78 136.29 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.6 t-80 -59.49 -27.67 66.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -27.83 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -80.73 -47.32 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.62 -49.23 78.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -55.07 -43.72 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -68.08 -53.92 21.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.0 mtp-105 -46.33 -20.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -52.51 -34.89 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.8 pt -65.21 -24.95 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 72.0 m-70 -80.61 -14.9 57.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -122.12 136.92 54.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.73 -117.15 2.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -96.88 177.7 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.86 145.18 38.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 152.68 69.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 t -109.78 109.25 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.74 -163.92 29.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.1 7.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 p -72.04 -50.75 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -59.6 87.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.47 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -158.78 124.29 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -114.01 142.36 46.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.65 176.07 15.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.448 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 p -98.48 129.6 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -57.17 -50.74 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.85 76.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m -68.79 83.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.382 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -152.03 -44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' GLY . 6.7 mm-40 -34.75 134.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 3.7 mppt? -94.42 144.24 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -39.51 6.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 7.1 m-85 -112.25 145.04 40.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -154.16 107.72 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.48 125.13 16.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -86.15 -27.93 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -52.25 -51.68 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 p -108.87 -40.34 5.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 39.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -107.03 164.07 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.44 142.42 50.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -128.4 149.62 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.17 -49.08 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 -114.6 150.41 35.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 26' ' ' THR . 5.7 p-80 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 52.0 p -43.94 -48.94 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.25 -54.09 47.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -53.14 -57.82 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -54.95 -22.46 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 6.2 t60 -82.97 -49.93 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' HIS . 49.7 mtt180 -34.5 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mpt_? -47.2 -49.74 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 5.8 pt -42.05 -25.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 83.7 m-70 -88.61 -34.2 17.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' ARG . 70.8 p -91.54 85.21 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.97 157.63 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.485 ' CZ ' ' O ' ' A' ' 39' ' ' ARG . 28.5 t80 -67.11 148.99 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' O ' ' CZ ' ' A' ' 38' ' ' TYR . 23.9 mtt85 -110.61 143.98 29.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 175.19 8.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 -43.2 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.88 -75.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 95.39 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.5 p -122.9 109.34 14.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.5 t -41.84 -61.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.482 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t -132.14 140.79 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -50.08 137.19 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -165.68 53.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 p -117.76 120.6 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -87.98 125.01 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.71 56.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -120.06 -59.99 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.51 68.27 1.5 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -62.47 126.62 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -115.55 152.24 46.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -18.27 36.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 37.2 m-85 -110.97 130.59 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -158.79 114.17 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.38 119.46 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -79.52 -31.73 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 69.2 mm-40 -46.97 -57.44 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.7 -39.35 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.13 36.92 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -100.68 165.33 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 142.39 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 86.9 m-85 -132.4 137.6 47.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.568 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -65.11 -32.53 74.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' CG ' ' CE1' ' A' ' 23' ' ' HIS . 13.2 mmp_? -116.38 152.62 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.5 t-80 -66.75 -45.64 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -44.53 -45.85 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.3 m-70 -62.89 -45.72 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.5 tp -59.19 -57.86 11.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -53.27 -52.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.35 -46.66 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.7 t60 -56.1 -50.66 70.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -42.17 -24.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 78.4 mtt-85 -47.43 -49.95 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.7 pt -52.36 -25.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 33.7 m-70 -89.78 -18.03 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -129.73 90.8 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.15 -93.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD2' ' HD3' ' A' ' 40' ' ' PRO . 13.5 p90 -128.57 161.67 29.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -108.65 79.82 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD3' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.74 -33.48 16.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -157.45 123.29 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.84 -179.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 119.08 6.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.4 t -123.32 -50.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -73.1 87.76 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.513 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -150.5 142.63 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -147.42 155.51 42.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.68 157.83 23.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -119.31 103.94 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -58.51 -48.56 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 122.95 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -95.69 114.09 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 39.42 78.21 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' GLY . 2.6 pt-20 -34.64 -49.92 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.57 148.78 47.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.504 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.76 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 25' ' ' HIS . 58.3 m-85 -113.4 104.29 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -130.33 111.78 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.05 119.12 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -88.05 37.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -126.79 -46.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.49 -48.8 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.21 39.19 0.46 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -111.03 154.27 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.12 139.49 53.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.21 162.15 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -88.48 -43.2 11.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.25 122.39 44.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.8 t-80 -47.68 -51.3 22.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 64.4 p -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -66.55 -55.26 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 tp -48.95 -53.72 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 45.6 t-20 -58.08 -58.04 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 28.3 mt-10 -55.47 -15.92 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 34' ' ' ILE . 5.3 t60 -89.46 -51.58 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -39.46 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' NE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -52.15 -45.68 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 31' ' ' HIS . 20.4 pt -47.53 -21.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -96.47 -24.22 16.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.2 t -121.01 113.39 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' TYR . . . -102.6 70.98 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLY . 5.4 p90 -38.03 128.05 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.96 143.47 30.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -14.1 35.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -78.92 167.8 20.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.75 145.79 7.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -12.44 32.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -79.03 92.86 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.1 p -174.76 156.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.456 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 p 39.43 42.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -126.94 -61.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.71 -163.54 18.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -123.35 136.58 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.09 168.41 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.53 161.11 27.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -92.22 -51.6 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.03 -93.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -98.67 83.99 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -128.49 71.95 80.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.77 -33.23 16.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 7.4 m-85 -112.35 115.97 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.2 134.34 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.56 117.18 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -92.17 40.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -130.33 -38.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -125.54 -44.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.02 37.67 0.6 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -118.9 125.19 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.79 160.31 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 21.1 m-85 -140.01 130.6 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -56.08 -34.12 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -113.64 154.92 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -75.96 -47.26 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -44.52 -31.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -77.59 -48.18 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 22' ' ' PHE . 9.4 tp -60.22 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 48.5 t30 -52.03 -39.71 59.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 7.9 tt0 -78.31 -23.63 47.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.2 t60 -70.63 -57.36 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -38.84 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -47.99 -47.29 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -58.75 -23.21 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.431 ' N ' HG13 ' A' ' 34' ' ' ILE . 26.8 m-70 -88.48 -17.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.96 -37.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -103.73 130.4 51.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -111.88 150.06 41.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -169.74 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -124.6 41.66 3.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.29 -91.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 124.44 11.06 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -44.75 -59.26 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 p -57.19 119.92 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -83.46 48.85 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.807 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -113.21 -47.15 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.88 52.9 5.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 6' ' ' SER . 29.8 t -131.21 46.44 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.0 t -34.78 98.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.49 -112.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -60.04 132.09 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -46.42 3.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -45.49 -33.5 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -39.82 142.65 0.64 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.555 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.78 -1.3 8.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 5.8 m-85 -104.17 37.15 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -82.74 125.45 31.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -71.36 108.68 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.405 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.9 m -88.97 39.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.7 mp0 -122.84 -36.78 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.1 -39.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 52.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -119.09 166.15 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.16 149.18 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 4.8 m-85 -144.11 147.08 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 45.5 p-80 -80.08 -34.89 37.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 19.8 mtm180 -102.64 148.45 25.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -64.62 -46.55 82.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -50.8 -42.01 57.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -60.43 -49.25 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 41.7 tp -53.8 -50.99 64.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -61.53 -54.49 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -45.02 -41.65 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ARG . 66.5 t60 -68.85 -55.66 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -41.69 -24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.9 mtp85 -49.91 -43.33 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -67.18 -18.58 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.91 -30.25 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 t -94.76 143.09 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.73 -88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.15 158.08 29.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -99.9 143.62 26.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.814 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 133.8 26.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -61.55 -46.4 90.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HD2' ' A' ' 43' ' ' PRO . . . -176.73 -62.95 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.83 100.18 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.8 p -168.23 167.06 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -46.62 143.84 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -157.15 147.33 20.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.354 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -149.44 133.84 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.01 55.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 78.3 p -133.45 -45.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 56.7 p -34.85 104.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 116.41 0.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -99.43 113.82 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.28 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.38 118.79 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -85.68 143.95 39.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -15.11 36.77 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 30.5 m-85 -96.75 97.33 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 97.65 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 45.4 t -56.45 108.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -70.1 -33.72 72.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -43.84 -51.03 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.72 -37.13 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.23 32.52 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -86.41 164.48 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.51 134.63 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 38.2 m-85 -132.86 148.69 52.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -64.11 -52.97 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -104.0 166.06 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.501 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.6 t-80 -71.09 -48.36 52.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.3 p -40.15 -47.08 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 27.4 m170 -62.83 -53.87 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 10.6 tp -50.01 -54.54 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 28.5 t30 -59.27 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 44.4 mt-10 -46.39 -20.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' HD13 ' A' ' 34' ' ' ILE . 8.3 t60 -86.94 -53.41 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' HIS . 28.4 mtt-85 -37.78 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -49.57 -47.17 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 31' ' ' HIS . 8.6 pt -45.95 -20.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' CE1' HD11 ' A' ' 34' ' ' ILE . 58.9 m-70 -91.15 -33.59 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 33' ' ' ARG . 65.4 p -90.0 43.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.37 -72.7 1.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 1.1 p90 -121.46 141.09 51.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -116.93 143.91 32.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -91.26 -70.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.94 80.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.7 -8.73 24.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 72.4 m -34.56 -64.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.5 p -90.72 128.09 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.493 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 t -90.55 113.19 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 49.87 41.95 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.85 80.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -63.68 -53.84 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -61.94 158.06 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.97 49.69 1.45 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 p -135.08 125.22 26.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.8 -31.42 3.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.97 123.93 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -107.25 154.39 40.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.575 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.79 -28.05 25.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 8.4 m-85 -100.57 26.47 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.75 146.84 30.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' LYS . 12.5 t -75.69 152.63 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -111.6 -31.95 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.25 -43.59 64.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.37 -38.08 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 18.35 5.16 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.12 159.88 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 141.57 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 69.7 m-85 -139.17 179.96 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -108.36 -45.69 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -109.47 137.91 46.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -46.13 -46.76 17.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 m -41.64 -59.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -54.76 -43.14 72.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 15.0 tp -58.89 -54.93 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -58.44 -35.81 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -48.3 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -58.72 -41.84 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -51.58 -16.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -52.67 -37.28 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -75.76 -22.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' N ' HG13 ' A' ' 34' ' ' ILE . 22.8 m-70 -86.57 -26.13 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t -98.75 -27.39 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.94 109.31 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -153.97 134.62 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.45 143.96 45.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.1 27.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -94.12 83.86 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.49 -72.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -33.17 16.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.0 p -159.17 122.45 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -122.19 -59.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.467 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 159.41 39.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -144.34 169.77 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.24 162.82 21.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -118.42 118.16 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -74.16 -55.87 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.91 -168.84 21.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -125.59 164.75 19.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.08 -166.72 34.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -111.47 -55.85 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 4.9 ttpm? 52.23 55.02 14.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.554 0.693 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -44.52 2.01 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 5.8 m-85 -108.32 138.86 43.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -148.21 128.33 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -70.39 155.04 41.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 m -114.07 -33.38 5.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 17.3 mm-40 -50.81 -53.96 27.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.18 -43.8 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 37.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -94.97 -179.18 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.19 143.69 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.85 125.37 22.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.53 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -56.16 -23.0 32.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.53 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 1.1 mpp_? -126.61 142.16 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.7 t-160 -58.51 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' HIS . 85.5 m -34.25 -55.28 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -52.76 -47.24 67.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' HIS . 5.6 tp -57.97 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -41.48 -51.0 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.02 -56.7 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -49.34 -50.6 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -43.51 -29.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -51.69 -41.72 61.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -80.28 -33.55 37.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -95.82 150.46 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.98 103.95 0.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -64.8 147.75 52.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.926 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -94.84 144.73 28.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.36 19.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' GLY . 17.0 m -56.08 -45.4 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -37.9 156.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.48 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -120.78 156.52 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 p -94.69 93.39 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.501 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -167.64 167.65 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -154.69 166.77 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.69 163.26 30.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -121.98 97.39 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 t -145.35 122.94 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.19 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 m -91.64 -58.06 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 92.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -121.94 107.35 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -134.78 69.98 71.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -12.65 33.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 2.1 m-85 -91.45 40.5 1.03 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.15 140.55 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 t -92.38 117.32 29.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.49 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 93.7 p -92.89 38.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' A' ' 16' ' ' SER . 1.9 mp0 -125.15 -44.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -123.01 -48.42 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.58 52.36 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -132.54 123.44 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.3 146.88 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.041 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD13 ' A' ' 28' ' ' LEU . 15.0 m-85 -128.51 173.84 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 10.8 p80 -100.66 -41.42 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.86 148.41 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.0 m80 -56.75 -54.91 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' HIS . 3.3 p -35.25 -42.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -67.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 22' ' ' PHE . 57.6 tp -45.76 -47.15 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -61.66 -65.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -45.63 -31.88 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -73.26 -47.47 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -48.49 -18.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -52.8 -50.19 64.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 pt -54.97 -18.78 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -93.31 -24.11 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -111.63 129.43 56.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.28 -76.23 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -142.8 151.52 41.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -125.62 142.04 40.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -1.05 7.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.629 2.219 . . . . 0.0 112.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -102.08 91.03 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.25 173.37 19.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.42 11.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -75.42 89.29 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.6 m -55.5 -52.34 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.469 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.67 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.944 0.402 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -139.1 135.27 33.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -74.93 118.93 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -96.27 44.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.01 -43.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.6 -44.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.13 34.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.2 mttm -99.05 165.15 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.12 144.24 26.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -141.59 159.0 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -88.67 -36.22 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.98 107.48 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -37.65 -42.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -43.61 -61.01 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -50.05 -56.23 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 13' ' ' TYR . 22.4 tp -43.5 -53.6 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -55.32 -48.85 73.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -55.32 -31.45 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.3 t60 -72.41 -55.83 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' HIS . 27.5 mtt-85 -40.24 -31.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 36' ' ' THR . 31.3 mtp85 -43.03 -42.01 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.4 pp -73.03 -28.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ARG . 19.6 m-70 -71.88 -31.49 66.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 33' ' ' ARG . 14.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.936 0.398 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -97.73 126.3 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.3 132.4 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -91.44 -25.56 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.55 -56.99 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -102.28 -41.44 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -112.1 169.38 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.28 132.55 20.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -123.43 157.02 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.04 -49.59 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -101.26 161.82 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -73.18 -46.58 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 m -43.58 -46.57 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -60.39 -55.91 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.15 -55.42 21.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -45.12 -47.63 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.94 -54.82 40.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -49.32 -52.15 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -39.03 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.4 mtt-85 -49.59 -50.37 42.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.99 -18.59 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 -32.54 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.6 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.13 123.63 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.17 111.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -85.47 40.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -133.43 -40.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -123.58 -37.06 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.11 58.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -128.34 128.96 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.07 137.0 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.45 176.45 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -103.72 -35.27 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -112.78 121.99 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.4 t-160 -41.91 -59.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.8 m -37.12 -53.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -50.76 -44.39 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.2 tp -63.06 -60.11 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -46.07 -38.68 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.66 -31.73 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -63.33 -39.5 94.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.492 ' O ' HG22 ' A' ' 36' ' ' THR . 51.0 mtp85 -62.85 -15.01 52.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -44.84 -32.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.641 HD11 ' CE1' ' A' ' 35' ' ' HIS . 2.9 pt -76.28 -30.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.641 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.9 m-70 -87.62 -5.65 58.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' ARG . 9.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CE2' ' ND1' ' A' ' 25' ' ' HIS . 2.9 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -130.46 124.95 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -62.69 122.31 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.4 t -93.91 37.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.2 mp0 -127.42 -32.11 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -134.73 -47.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.28 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -129.01 119.45 24.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.777 0.322 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 13' ' ' TYR . . . -112.66 147.88 35.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 31.4 m-85 -136.4 128.3 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -55.6 -22.95 24.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -116.42 118.23 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.601 ' ND1' ' CE2' ' A' ' 13' ' ' TYR . 2.1 m-70 -46.51 -51.44 15.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.54 -40.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -68.44 -52.99 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 13' ' ' TYR . 5.7 tp -60.59 -56.52 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -43.87 -33.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.5 t60 -46.48 -52.41 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.19 -25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.0 mtp-105 -51.02 -44.57 61.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.22 -22.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 46.0 m-70 -87.6 -34.49 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -86.36 140.32 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.3 118.45 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 t -90.84 37.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.3 mp0 -127.82 -33.59 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.01 -47.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.67 45.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.431 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 7.2 mtpm? -115.68 172.03 7.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 134.51 28.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -126.83 158.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -94.3 -44.91 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -98.7 125.37 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' THR . 10.4 t-80 -39.07 -57.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' HIS . 96.4 m -34.43 -46.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.54 -52.61 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' TYR . 19.9 tp -57.66 -51.03 71.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -60.21 -61.97 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.44 -30.85 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.4 t60 -72.61 -55.57 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -38.89 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 50.5 mtm180 -49.61 -52.39 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.55 -17.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.1 m-70 -99.58 -28.02 13.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 36' ' ' THR . 7.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.94 0.4 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' HB2' ' A' ' 21' ' ' ALA . 42.8 tptt -136.54 106.01 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 t -48.41 127.91 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -104.74 42.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -130.01 -38.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -129.3 -41.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 33.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 8.9 tptm -96.03 154.87 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 14' ' ' LYS . . . -139.16 141.14 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 78.0 m-85 -137.24 138.55 40.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -66.41 -37.76 85.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -105.11 143.83 32.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -60.53 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -44.54 -47.53 10.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -58.25 -52.76 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.7 tp -51.87 -52.49 49.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -56.9 -46.6 81.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.85 -17.52 37.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' ARG . 38.7 t60 -90.66 -50.23 6.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -43.23 -23.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mtt85 -49.59 -47.07 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.08 -18.62 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.97 -25.1 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 36' ' ' THR . 4.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 53.9 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -107.26 139.54 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.1 t -78.57 154.73 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -110.28 -28.86 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.1 mm-40 -58.79 -49.79 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.85 -47.75 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.24 28.46 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -96.95 133.78 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 146.2 35.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -124.85 173.49 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -83.06 -55.35 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -105.17 138.06 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.8 t-80 -44.85 -57.7 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.3 m -37.53 -52.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -53.09 -48.6 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD23 HH21 ' A' ' 32' ' ' ARG . 19.3 tp -58.2 -52.13 66.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -48.25 -55.75 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.35 -35.33 60.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.3 t60 -69.13 -47.99 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.475 HH21 HD23 ' A' ' 28' ' ' LEU . 41.9 mtt180 -43.3 -23.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' THR . 51.1 mtt180 -50.73 -48.89 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 35' ' ' HIS . 17.6 pt -45.26 -23.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.0 m-70 -98.12 -26.06 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 36' ' ' THR . 3.7 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CE1' ' CG ' ' A' ' 25' ' ' HIS . 1.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.927 0.394 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -152.89 120.09 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -72.59 107.51 5.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -71.5 -36.95 71.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -41.65 -60.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.82 -38.44 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.11 37.17 1.7 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -114.19 124.35 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.0 160.65 15.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 10.2 m-85 -148.57 153.52 38.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -82.01 -31.64 30.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -98.34 98.05 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 5.7 t-160 -43.57 -31.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -62.87 -51.13 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' HG3' ' A' ' 24' ' ' ARG . 11.8 m170 -57.67 -49.02 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.4 tp -47.88 -56.35 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -47.85 -42.61 26.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 9.7 mm-40 -66.11 -26.03 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -78.14 -54.24 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -39.89 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtm105 -49.82 -44.37 49.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 pt -50.01 -23.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -88.9 -32.66 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -167.03 127.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.96 154.61 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -110.44 -37.44 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 8.4 mm-40 -48.97 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -98.0 -40.12 8.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.13 38.21 2.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -106.18 130.39 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.31 149.34 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.078 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 93.5 m-85 -132.77 148.93 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -75.92 -23.18 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -129.99 152.33 49.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 29' ' ' ASN . 57.8 t-80 -65.46 -50.05 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 1.3 t -37.61 -42.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 23.3 m170 -65.72 -58.81 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -51.02 -47.73 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 42.3 t30 -54.01 -55.81 23.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.85 -24.73 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -65.24 -45.28 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.716 ' O ' HG23 ' A' ' 36' ' ' THR . 73.7 mtp180 -51.5 -17.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -47.33 -38.9 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.4 pt -70.56 -25.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 47.7 m-70 -85.98 -33.88 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 32' ' ' ARG . 5.0 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.828 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.7 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.977 0.418 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -120.95 105.92 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 19' ' ' GLY . 29.2 t -52.35 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -61.43 -31.48 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -60.34 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.86 -41.53 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.91 25.73 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -86.71 167.72 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.51 145.49 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -139.76 162.33 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -91.89 -41.58 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -101.65 116.21 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -37.89 -50.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p -41.43 -53.13 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -51.06 -54.17 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' A' ' 13' ' ' TYR . 17.6 tp -49.83 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -39.14 -56.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -55.58 -43.38 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -59.35 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -46.21 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 35.6 mtp180 -50.3 -43.79 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -59.01 -21.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 90.7 m-70 -90.0 -19.93 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.185 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 67.1 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -124.9 127.18 46.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.21 110.41 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -74.74 -31.83 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.595 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 6.7 mp0 -49.04 -59.56 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.66 -37.16 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.61 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -115.31 178.42 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.74 143.71 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.33 164.87 26.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.59 -36.77 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.78 136.29 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.6 t-80 -59.49 -27.67 66.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -27.83 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -80.73 -47.32 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.4 tp -60.62 -49.23 78.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -55.07 -43.72 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -68.08 -53.92 21.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 15.0 mtp-105 -46.33 -20.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -52.51 -34.89 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.8 pt -65.21 -24.95 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 77.6 m80 -80.61 -14.9 57.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -154.16 107.72 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.48 125.13 16.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -86.15 -27.93 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -52.25 -51.68 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 p -108.87 -40.34 5.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 39.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -107.03 164.07 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.44 142.42 50.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -128.4 149.62 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.17 -49.08 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 -114.6 150.41 35.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 26' ' ' THR . 3.1 p80 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 52.0 p -43.94 -48.94 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.25 -54.09 47.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -53.14 -57.82 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -54.95 -22.46 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 1.6 t-80 -82.97 -49.93 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' HIS . 49.7 mtt180 -34.5 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mpt_? -47.2 -49.74 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.8 pt -42.05 -25.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 83.7 m-70 -88.61 -34.2 17.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' ARG . 70.8 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 37.2 m-85 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -158.79 114.17 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.38 119.46 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -79.52 -31.73 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 69.2 mm-40 -46.97 -57.44 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.7 -39.35 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.13 36.92 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -100.68 165.33 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 142.39 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 86.9 m-85 -132.4 137.6 47.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.612 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 4.2 p-80 -65.11 -32.53 74.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.612 ' CG ' ' CE1' ' A' ' 23' ' ' HIS . 13.2 mmp_? -116.38 152.62 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.5 t-80 -66.75 -45.64 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -44.53 -45.85 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.3 m-70 -62.89 -45.72 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.5 tp -59.19 -57.86 11.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -53.27 -52.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.35 -46.66 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.7 t60 -56.1 -50.66 70.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -42.17 -24.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 78.4 mtt-85 -47.43 -49.95 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.7 pt -52.36 -25.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 33.7 m-70 -89.78 -18.03 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 25' ' ' HIS . 58.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.989 0.423 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -130.33 111.78 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.05 119.12 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -88.05 37.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -126.79 -46.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.49 -48.8 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.21 39.19 0.46 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -111.03 154.27 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.12 139.49 53.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.21 162.15 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -88.48 -43.2 11.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.25 122.39 44.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.8 t-80 -47.68 -51.3 22.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 64.4 p -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -66.55 -55.26 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 tp -48.95 -53.72 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 45.6 t-20 -58.08 -58.04 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 28.3 mt-10 -55.47 -15.92 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' ARG . 1.5 t-80 -89.46 -51.58 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -39.46 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -52.15 -45.68 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 pt -47.53 -21.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -96.47 -24.22 16.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.2 134.34 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.56 117.18 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -92.17 40.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -130.33 -38.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -125.54 -44.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.02 37.67 0.6 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -118.9 125.19 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.79 160.31 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 21.1 m-85 -140.01 130.6 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -56.08 -34.12 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -113.64 154.92 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -75.96 -47.26 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -44.52 -31.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -77.59 -48.18 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.22 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 48.5 t30 -52.03 -39.71 59.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 7.9 tt0 -78.31 -23.63 47.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.2 t60 -70.63 -57.36 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -38.84 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -47.99 -47.29 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -58.75 -23.21 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 26.8 m-70 -88.48 -17.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' HA ' HD22 ' A' ' 28' ' ' LEU . 5.8 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -82.74 125.45 31.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -71.36 108.68 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.405 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.9 m -88.97 39.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.7 mp0 -122.84 -36.78 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.1 -39.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 52.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -119.09 166.15 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.16 149.18 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 4.8 m-85 -144.11 147.08 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 45.5 p-80 -80.08 -34.89 37.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 19.8 mtm180 -102.64 148.45 25.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -64.62 -46.55 82.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 27' ' ' HIS . 8.7 t -50.8 -42.01 57.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 26' ' ' THR . 10.9 m170 -60.43 -49.25 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 41.7 tp -53.8 -50.99 64.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -61.53 -54.49 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -45.02 -41.65 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ARG . 66.5 t60 -68.85 -55.66 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -41.69 -24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.9 mtp85 -49.91 -43.33 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -67.18 -18.58 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.91 -30.25 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 33' ' ' ARG . 5.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 30.5 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.937 0.398 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 97.65 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 45.4 t -56.45 108.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -70.1 -33.72 72.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -43.84 -51.03 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.72 -37.13 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.23 32.52 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -86.41 164.48 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.51 134.63 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 38.2 m-85 -132.86 148.69 52.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -64.11 -52.97 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -104.0 166.06 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.6 t-80 -71.09 -48.36 52.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.3 p -40.15 -47.08 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 27.4 m170 -62.83 -53.87 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 10.6 tp -50.01 -54.54 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 28.5 t30 -59.27 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 44.4 mt-10 -46.39 -20.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.3 t60 -86.94 -53.41 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' HIS . 28.4 mtt-85 -37.78 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.503 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -49.57 -47.17 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 pt -45.95 -20.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ARG . 58.9 m-70 -91.15 -33.59 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 33' ' ' ARG . 65.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.606 ' O ' HD13 ' A' ' 28' ' ' LEU . 8.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.956 0.407 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.75 146.84 30.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' LYS . 12.5 t -75.69 152.63 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -111.6 -31.95 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.25 -43.59 64.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.37 -38.08 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 18.35 5.16 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.12 159.88 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 141.57 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 69.7 m-85 -139.17 179.96 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -108.36 -45.69 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -109.47 137.91 46.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -46.13 -46.76 17.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 m -41.64 -59.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -54.76 -43.14 72.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 13' ' ' TYR . 15.0 tp -58.89 -54.93 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -58.44 -35.81 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -48.3 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -58.72 -41.84 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -51.58 -16.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -52.67 -37.28 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -75.76 -22.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' HG13 ' A' ' 34' ' ' ILE . 22.8 m-70 -86.57 -26.13 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.947 0.403 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -148.21 128.33 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -70.39 155.04 41.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 m -114.07 -33.38 5.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 17.3 mm-40 -50.81 -53.96 27.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.18 -43.8 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 37.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -94.97 -179.18 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.19 143.69 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.85 125.37 22.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -23.0 32.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -126.61 142.16 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' THR . 6.4 t-80 -58.51 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' HIS . 85.5 m -34.25 -55.28 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -52.76 -47.24 67.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD11 ' HE ' ' A' ' 32' ' ' ARG . 5.6 tp -57.97 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -41.48 -51.0 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.02 -56.7 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -49.34 -50.6 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HE ' HD11 ' A' ' 28' ' ' LEU . 66.8 mtt180 -43.51 -29.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 36' ' ' THR . 74.1 mtp85 -51.69 -41.72 61.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.8 pp -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -80.28 -33.55 37.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 33' ' ' ARG . 4.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 2.1 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.15 140.55 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 t -92.38 117.32 29.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.49 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 93.7 p -92.89 38.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' A' ' 16' ' ' SER . 1.9 mp0 -125.15 -44.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -123.01 -48.42 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.58 52.36 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -132.54 123.44 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.3 146.88 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.041 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -128.51 173.84 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 10.8 p80 -100.66 -41.42 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.86 148.41 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' THR . 12.6 m-70 -56.75 -54.91 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' HIS . 3.3 p -35.25 -42.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -67.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 13' ' ' TYR . 57.6 tp -45.76 -47.15 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -61.66 -65.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -45.63 -31.88 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' HG12 ' A' ' 34' ' ' ILE . 28.0 t60 -73.26 -47.47 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -48.49 -18.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -52.8 -50.19 64.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 31' ' ' HIS . 5.6 pt -54.97 -18.78 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -93.31 -24.11 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -102.53 163.35 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -137.17 142.32 42.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 157.49 -122.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 88.3 p 34.41 41.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.905 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -97.58 123.47 41.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.13 72.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.5 t -53.2 148.43 8.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 98.96 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -135.03 134.99 40.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -39.01 144.07 0.44 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.521 0.677 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.74 -33.2 17.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.67 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.9 m-85 -105.21 130.01 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -139.1 135.27 33.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -74.93 118.93 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -96.27 44.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.01 -43.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.6 -44.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.13 34.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.2 mttm -99.05 165.15 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.12 144.24 26.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -141.59 159.0 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -88.67 -36.22 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.98 107.48 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -37.65 -42.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -43.61 -61.01 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -50.05 -56.23 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 13' ' ' TYR . 22.4 tp -43.5 -53.6 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -55.32 -48.85 73.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -55.32 -31.45 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.3 t60 -72.41 -55.83 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' HIS . 27.5 mtt-85 -40.24 -31.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 36' ' ' THR . 31.3 mtp85 -43.03 -42.01 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.4 pp -73.03 -28.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ARG . 19.6 m-70 -71.88 -31.49 66.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 33' ' ' ARG . 14.9 t -83.26 34.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 36.06 88.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -90.31 93.13 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -112.08 144.13 30.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -77.12 131.1 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.41 -165.01 28.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.76 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 t -130.15 169.4 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 t -119.58 117.9 29.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.439 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -76.55 -55.91 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -66.88 168.78 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.09 -101.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m 56.08 46.0 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -102.26 92.34 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.07 -141.56 26.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.3 p -151.67 168.75 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.17 -137.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 55.75 45.79 23.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -126.28 70.34 69.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.77 -13.59 34.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -95.91 41.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -97.73 126.3 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.3 132.4 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -91.44 -25.56 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.55 -56.99 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -102.28 -41.44 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -112.1 169.38 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.28 132.55 20.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -123.43 157.02 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.04 -49.59 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -101.26 161.82 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -73.18 -46.58 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 m -43.58 -46.57 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -60.39 -55.91 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.15 -55.42 21.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -45.12 -47.63 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.94 -54.82 40.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -49.32 -52.15 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -39.03 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.4 mtt-85 -49.59 -50.37 42.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.99 -18.59 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 -32.54 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.85 96.58 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.65 -123.45 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -150.38 125.47 9.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.935 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -144.66 152.19 52.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.705 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.66 31.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -40.96 -67.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.28 155.39 13.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.24 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -157.73 120.48 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -112.38 135.07 53.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -125.25 122.16 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -169.51 129.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.44 163.55 25.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m 60.91 50.04 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.377 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.78 11.99 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.96 142.67 17.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -84.06 5.13 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.26 105.97 1.07 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -67.91 166.19 16.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -130.34 143.91 51.13 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.706 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.86 37.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.6 m-85 -106.34 96.59 6.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.13 123.63 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.17 111.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -85.47 40.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -133.43 -40.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -123.58 -37.06 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.11 58.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -128.34 128.96 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.07 137.0 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.45 176.45 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -103.72 -35.27 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -112.78 121.99 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.4 t-160 -41.91 -59.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.8 m -37.12 -53.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -50.76 -44.39 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.2 tp -63.06 -60.11 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -46.07 -38.68 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.66 -31.73 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -63.33 -39.5 94.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.492 ' O ' HG22 ' A' ' 36' ' ' THR . 51.0 mtp85 -62.85 -15.01 52.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -44.84 -32.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.641 HD11 ' CE1' ' A' ' 35' ' ' HIS . 2.9 pt -76.28 -30.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.641 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.9 m-70 -87.62 -5.65 58.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' ARG . 9.0 t -124.89 158.59 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.57 58.5 7.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -72.6 163.17 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -86.56 143.93 36.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -126.58 118.18 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.49 37.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.7 18.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -110.69 111.7 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.3 p -144.01 113.18 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.448 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -165.64 127.76 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -95.3 129.7 42.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 78.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -119.55 114.29 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -115.73 110.75 19.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.53 111.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.3 p -126.96 -8.24 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.86 -31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.84 -55.67 24.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -111.28 80.92 2.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.534 0.683 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.16 15.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CE2' ' ND1' ' A' ' 25' ' ' HIS . 2.9 m-85 -96.85 111.68 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -130.46 124.95 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -62.69 122.31 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.4 t -93.91 37.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.2 mp0 -127.42 -32.11 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -134.73 -47.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.28 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -129.01 119.45 24.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.777 0.322 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 13' ' ' TYR . . . -112.66 147.88 35.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 31.4 m-85 -136.4 128.3 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -55.6 -22.95 24.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -116.42 118.23 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.601 ' ND1' ' CE2' ' A' ' 13' ' ' TYR . 2.1 m-70 -46.51 -51.44 15.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.54 -40.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -68.44 -52.99 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 13' ' ' TYR . 5.7 tp -60.59 -56.52 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -43.87 -33.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.5 t60 -46.48 -52.41 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.19 -25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.0 mtp-105 -51.02 -44.57 61.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.22 -22.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 46.0 m-70 -87.6 -34.49 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 p -75.45 144.4 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.54 -171.71 45.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -59.96 173.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -103.45 143.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.7 . . . . 0.0 110.85 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.02 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -148.43 172.55 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.1 74.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.1 9.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.755 2.303 . . . . 0.0 112.302 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.4 t -136.51 108.57 7.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -74.58 149.91 39.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.466 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -118.11 -49.91 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -70.54 -43.1 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.81 137.29 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -107.5 -47.43 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -47.63 131.75 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.68 -69.77 1.04 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 t 52.28 44.18 30.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.81 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.16 62.07 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -89.95 72.79 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.78 71.36 67.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.14 9.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.7 m-85 -86.06 64.93 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -86.36 140.32 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.3 118.45 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 t -90.84 37.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.3 mp0 -127.82 -33.59 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.01 -47.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.67 45.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 7.2 mtpm? -115.68 172.03 7.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 134.51 28.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -126.83 158.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -94.3 -44.91 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -98.7 125.37 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' THR . 10.4 t-80 -39.07 -57.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' HIS . 96.4 m -34.43 -46.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.54 -52.61 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' TYR . 19.9 tp -57.66 -51.03 71.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -60.21 -61.97 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.44 -30.85 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.4 t60 -72.61 -55.57 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -38.89 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 50.5 mtm180 -49.61 -52.39 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.55 -17.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.1 m-70 -99.58 -28.02 13.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 36' ' ' THR . 7.1 t -116.48 117.69 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 163.73 32.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -90.49 151.67 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.39 . . . . 0.0 110.905 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -114.82 146.84 36.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 100.06 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m -53.61 128.54 29.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 146.16 10.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.73 33.56 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -49.09 132.69 19.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -70.57 153.95 42.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.504 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 t -134.61 112.56 10.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -75.54 82.23 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.73 179.87 16.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -145.27 144.64 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -110.83 148.64 31.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.95 76.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -116.29 122.64 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.19 130.73 10.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.51 -27.87 11.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -59.45 145.55 81.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.7 m-85 -79.89 123.96 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' HB2' ' A' ' 21' ' ' ALA . 42.8 tptt -136.54 106.01 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 t -48.41 127.91 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -104.74 42.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -130.01 -38.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -129.3 -41.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 33.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 8.9 tptm -96.03 154.87 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 14' ' ' LYS . . . -139.16 141.14 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 78.0 m-85 -137.24 138.55 40.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -66.41 -37.76 85.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -105.11 143.83 32.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -60.53 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -44.54 -47.53 10.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -58.25 -52.76 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.7 tp -51.87 -52.49 49.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -56.9 -46.6 81.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.85 -17.52 37.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' ARG . 38.7 t60 -90.66 -50.23 6.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -43.23 -23.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mtt85 -49.59 -47.07 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.08 -18.62 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.97 -25.1 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 36' ' ' THR . 4.3 t -113.99 124.01 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.58 37.23 24.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -70.74 157.44 38.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -132.46 147.84 67.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.832 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.65 26.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -169.6 124.48 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.1 143.25 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.73 26.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.376 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -116.03 82.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t 40.33 43.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.471 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -69.41 171.27 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -155.12 165.67 35.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.04 149.85 18.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -101.11 43.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -116.37 123.33 47.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.3 111.53 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 t -73.5 -50.5 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.75 155.95 8.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -118.89 124.15 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 152.95 92.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.546 0.689 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -3.41 11.97 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 53.9 m-85 -110.81 73.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -107.26 139.54 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.1 t -78.57 154.73 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -110.28 -28.86 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.1 mm-40 -58.79 -49.79 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.85 -47.75 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.24 28.46 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -96.95 133.78 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 146.2 35.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -124.85 173.49 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -83.06 -55.35 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -105.17 138.06 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.8 t-80 -44.85 -57.7 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.3 m -37.53 -52.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -53.09 -48.6 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD23 HH21 ' A' ' 32' ' ' ARG . 19.3 tp -58.2 -52.13 66.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -48.25 -55.75 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.35 -35.33 60.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.3 t60 -69.13 -47.99 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.475 HH21 HD23 ' A' ' 28' ' ' LEU . 41.9 mtt180 -43.3 -23.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' THR . 51.1 mtt180 -50.73 -48.89 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 35' ' ' HIS . 17.6 pt -45.26 -23.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.0 m-70 -98.12 -26.06 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 36' ' ' THR . 3.7 t -118.77 74.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.13 -47.55 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -146.74 131.13 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -132.41 149.97 74.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.03 51.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -75.25 -64.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.29 146.47 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.23 37.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.1 t -94.52 126.07 39.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t 69.76 45.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.5 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -173.26 118.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -125.15 152.31 44.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.27 -150.0 5.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -149.83 165.54 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -115.41 169.81 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.69 159.19 22.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -95.65 157.45 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.821 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 44.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.28 44.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -129.05 80.92 71.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -40.54 5.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CE1' ' CG ' ' A' ' 25' ' ' HIS . 1.3 m-85 -112.71 131.82 55.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -152.89 120.09 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -72.59 107.51 5.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -71.5 -36.95 71.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -41.65 -60.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.82 -38.44 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.11 37.17 1.7 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -114.19 124.35 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.0 160.65 15.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 10.2 m-85 -148.57 153.52 38.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -82.01 -31.64 30.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -98.34 98.05 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 5.7 t-160 -43.57 -31.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -62.87 -51.13 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' HG3' ' A' ' 24' ' ' ARG . 11.8 m170 -57.67 -49.02 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.4 tp -47.88 -56.35 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -47.85 -42.61 26.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 9.7 mm-40 -66.11 -26.03 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -78.14 -54.24 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -39.89 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtm105 -49.82 -44.37 49.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 pt -50.01 -23.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -88.9 -32.66 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -99.01 82.56 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.32 68.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -162.97 154.05 17.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -81.64 143.97 51.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.8 33.89 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -117.67 41.93 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.61 83.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m 54.57 42.93 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 m -101.83 96.55 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -119.66 42.06 2.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m 39.85 42.08 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 -94.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -166.69 132.29 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -55.39 173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.27 -101.35 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 p -40.16 112.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.41 67.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -137.23 136.91 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 28.9 mtmm -117.89 140.98 28.45 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.82 -50.4 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 3.6 m-85 -106.78 147.65 29.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -167.03 127.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.96 154.61 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -110.44 -37.44 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 8.4 mm-40 -48.97 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -98.0 -40.12 8.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.13 38.21 2.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -106.18 130.39 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -103.31 149.34 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.078 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 93.5 m-85 -132.77 148.93 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -75.92 -23.18 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -129.99 152.33 49.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 29' ' ' ASN . 57.8 t-80 -65.46 -50.05 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 1.3 t -37.61 -42.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 23.3 m170 -65.72 -58.81 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -51.02 -47.73 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 42.3 t30 -54.01 -55.81 23.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.85 -24.73 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -65.24 -45.28 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.716 ' O ' HG23 ' A' ' 36' ' ' THR . 73.7 mtp180 -51.5 -17.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -47.33 -38.9 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.4 pt -70.56 -25.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 47.7 m-70 -85.98 -33.88 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 32' ' ' ARG . 5.0 p -64.32 127.77 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.47 153.18 44.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -37.87 141.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -136.16 147.73 61.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -65.87 92.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.11 146.18 9.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 119.22 6.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -124.87 89.67 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -170.45 164.92 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.52 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -163.63 135.22 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -140.5 155.34 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.84 -138.67 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -101.58 81.63 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -91.19 -55.39 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.06 96.42 1.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -62.76 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.43 105.25 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.94 134.86 18.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -93.01 143.92 27.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -42.18 3.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.828 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.7 m-85 -94.91 88.42 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -120.95 105.92 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 19' ' ' GLY . 29.2 t -52.35 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -61.43 -31.48 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -60.34 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.86 -41.53 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.91 25.73 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -86.71 167.72 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.51 145.49 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -139.76 162.33 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -91.89 -41.58 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -101.65 116.21 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -37.89 -50.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p -41.43 -53.13 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -51.06 -54.17 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' A' ' 13' ' ' TYR . 17.6 tp -49.83 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -39.14 -56.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -55.58 -43.38 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -59.35 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -46.21 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 35.6 mtp180 -50.3 -43.79 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -59.01 -21.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 90.7 m-70 -90.0 -19.93 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -114.49 118.73 34.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.185 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.27 45.37 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -80.66 163.38 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 25.0 ttp180 -66.3 140.19 96.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.4 Cg_endo -69.8 169.57 18.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -91.02 103.16 15.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.38 -95.01 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.1 p -58.61 163.76 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -115.43 -62.3 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.467 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -134.35 132.19 39.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -74.26 142.1 45.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.94 44.21 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -45.5 147.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -131.41 -43.76 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.07 -144.92 18.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 p 43.62 41.45 3.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.05 61.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -123.48 -43.81 2.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -70.03 140.8 88.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -36.94 9.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.1 m-85 -100.89 98.68 9.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -124.9 127.18 46.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.21 110.41 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -74.74 -31.83 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.7 mp0 -49.04 -59.56 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.66 -37.16 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.61 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -115.31 178.42 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.74 143.71 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.33 164.87 26.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.59 -36.77 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.78 136.29 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.6 t-80 -59.49 -27.67 66.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -27.83 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -80.73 -47.32 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.4 tp -60.62 -49.23 78.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -55.07 -43.72 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -68.08 -53.92 21.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 15.0 mtp-105 -46.33 -20.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -52.51 -34.89 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.8 pt -65.21 -24.95 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 72.0 m-70 -80.61 -14.9 57.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -122.12 136.92 54.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.73 -117.15 2.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -96.88 177.7 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' CD ' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -86.86 145.18 38.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 152.68 69.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 t -109.78 109.25 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.74 -163.92 29.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.1 7.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 p -72.04 -50.75 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -59.6 87.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.47 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -158.78 124.29 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -114.01 142.36 46.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.65 176.07 15.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.448 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 p -98.48 129.6 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -57.17 -50.74 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.85 76.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m -68.79 83.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.382 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -152.03 -44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' GLY . 6.7 mm-40 -34.75 134.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 3.7 mppt? -94.42 144.24 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -39.51 6.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 7.1 m-85 -112.25 145.04 40.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -154.16 107.72 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.48 125.13 16.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -86.15 -27.93 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -52.25 -51.68 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 p -108.87 -40.34 5.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 39.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -107.03 164.07 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.44 142.42 50.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -128.4 149.62 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.17 -49.08 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 -114.6 150.41 35.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 26' ' ' THR . 3.1 p80 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 52.0 p -43.94 -48.94 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.25 -54.09 47.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -53.14 -57.82 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -54.95 -22.46 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 6.2 t60 -82.97 -49.93 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' HIS . 49.7 mtt180 -34.5 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mpt_? -47.2 -49.74 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 5.8 pt -42.05 -25.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 83.7 m-70 -88.61 -34.2 17.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' ARG . 70.8 p -91.54 85.21 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.97 157.63 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.485 ' CZ ' ' O ' ' A' ' 39' ' ' ARG . 28.5 t80 -67.11 148.99 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' O ' ' CZ ' ' A' ' 38' ' ' TYR . 23.9 mtt85 -110.61 143.98 29.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 175.19 8.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 -43.2 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.88 -75.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 95.39 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.5 p -122.9 109.34 14.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.5 t -41.84 -61.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.482 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t -132.14 140.79 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -50.08 137.19 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -165.68 53.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 p -117.76 120.6 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -87.98 125.01 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.71 56.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -120.06 -59.99 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.51 68.27 1.5 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -62.47 126.62 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -115.55 152.24 46.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -18.27 36.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 37.2 m-85 -110.97 130.59 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -158.79 114.17 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.38 119.46 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -79.52 -31.73 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 69.2 mm-40 -46.97 -57.44 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.7 -39.35 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.13 36.92 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -100.68 165.33 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 142.39 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 86.9 m-85 -132.4 137.6 47.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.612 ' CE1' ' CG ' ' A' ' 24' ' ' ARG . 4.2 p-80 -65.11 -32.53 74.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.612 ' CG ' ' CE1' ' A' ' 23' ' ' HIS . 13.2 mmp_? -116.38 152.62 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.5 t-80 -66.75 -45.64 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -44.53 -45.85 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.3 m-70 -62.89 -45.72 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.5 tp -59.19 -57.86 11.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -53.27 -52.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.35 -46.66 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.7 t60 -56.1 -50.66 70.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -42.17 -24.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 78.4 mtt-85 -47.43 -49.95 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.7 pt -52.36 -25.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 33.7 m-70 -89.78 -18.03 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -129.73 90.8 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.15 -93.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.521 ' CD2' ' HD3' ' A' ' 40' ' ' PRO . 13.5 p90 -128.57 161.67 29.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -108.65 79.82 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.521 ' HD3' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.74 -33.48 16.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -157.45 123.29 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.84 -179.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 119.08 6.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.4 t -123.32 -50.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -73.1 87.76 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.513 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -150.5 142.63 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -147.42 155.51 42.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.68 157.83 23.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -119.31 103.94 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -58.51 -48.56 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 122.95 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -95.69 114.09 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 39.42 78.21 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' GLY . 2.6 pt-20 -34.64 -49.92 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.57 148.78 47.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.76 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 25' ' ' HIS . 58.3 m-85 -113.4 104.29 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -130.33 111.78 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.05 119.12 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -88.05 37.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -126.79 -46.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.49 -48.8 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.21 39.19 0.46 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -111.03 154.27 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.12 139.49 53.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.21 162.15 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -88.48 -43.2 11.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' N ' ' HD3' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.25 122.39 44.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.8 t-80 -47.68 -51.3 22.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 64.4 p -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -66.55 -55.26 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 tp -48.95 -53.72 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 45.6 t-20 -58.08 -58.04 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 28.3 mt-10 -55.47 -15.92 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.3 t60 -89.46 -51.58 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -39.46 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -52.15 -45.68 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 pt -47.53 -21.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -96.47 -24.22 16.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.2 t -121.01 113.39 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' TYR . . . -102.6 70.98 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLY . 5.4 p90 -38.03 128.05 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.96 143.47 30.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -14.1 35.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -78.92 167.8 20.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.75 145.79 7.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -12.44 32.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -79.03 92.86 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.1 p -174.76 156.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.456 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 p 39.43 42.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -126.94 -61.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.71 -163.54 18.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -123.35 136.58 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.09 168.41 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.53 161.11 27.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -92.22 -51.6 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.03 -93.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -98.67 83.99 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -128.49 71.95 80.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.77 -33.23 16.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 7.4 m-85 -112.35 115.97 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.2 134.34 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.56 117.18 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -92.17 40.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -130.33 -38.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -125.54 -44.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.02 37.67 0.6 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -118.9 125.19 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.79 160.31 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 21.1 m-85 -140.01 130.6 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -56.08 -34.12 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -113.64 154.92 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -75.96 -47.26 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -44.52 -31.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -77.59 -48.18 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.22 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 48.5 t30 -52.03 -39.71 59.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 7.9 tt0 -78.31 -23.63 47.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.2 t60 -70.63 -57.36 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -38.84 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -47.99 -47.29 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -58.75 -23.21 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 26.8 m-70 -88.48 -17.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.96 -37.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -103.73 130.4 51.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -111.88 150.06 41.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -169.74 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -124.6 41.66 3.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.29 -91.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 124.44 11.06 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -44.75 -59.26 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 p -57.19 119.92 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -83.46 48.85 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.807 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -113.21 -47.15 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.88 52.9 5.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 6' ' ' SER . 29.8 t -131.21 46.44 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.0 t -34.78 98.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.49 -112.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -60.04 132.09 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -46.42 3.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -45.49 -33.5 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -39.82 142.65 0.64 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.78 -1.3 8.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 5.8 m-85 -104.17 37.15 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -82.74 125.45 31.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -71.36 108.68 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.405 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.9 m -88.97 39.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.7 mp0 -122.84 -36.78 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.1 -39.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 52.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -119.09 166.15 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.16 149.18 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 4.8 m-85 -144.11 147.08 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 45.5 p-80 -80.08 -34.89 37.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 19.8 mtm180 -102.64 148.45 25.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -64.62 -46.55 82.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 27' ' ' HIS . 8.7 t -50.8 -42.01 57.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 26' ' ' THR . 10.9 m170 -60.43 -49.25 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 41.7 tp -53.8 -50.99 64.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -61.53 -54.49 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -45.02 -41.65 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ARG . 66.5 t60 -68.85 -55.66 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -41.69 -24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.9 mtp85 -49.91 -43.33 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -67.18 -18.58 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.91 -30.25 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 33' ' ' ARG . 5.4 t -94.76 143.09 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.73 -88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.15 158.08 29.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -99.9 143.62 26.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.814 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 133.8 26.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -61.55 -46.4 90.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 43' ' ' PRO . . . -176.73 -62.95 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.83 100.18 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.8 p -168.23 167.06 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -46.62 143.84 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -157.15 147.33 20.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.354 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -149.44 133.84 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.01 55.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 78.3 p -133.45 -45.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 56.7 p -34.85 104.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 116.41 0.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -99.43 113.82 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.28 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.38 118.79 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -85.68 143.95 39.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -15.11 36.77 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 30.5 m-85 -96.75 97.33 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 97.65 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 45.4 t -56.45 108.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -70.1 -33.72 72.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -43.84 -51.03 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.72 -37.13 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.23 32.52 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -86.41 164.48 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.51 134.63 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 38.2 m-85 -132.86 148.69 52.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -64.11 -52.97 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -104.0 166.06 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.6 t-80 -71.09 -48.36 52.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.3 p -40.15 -47.08 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 27.4 m170 -62.83 -53.87 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 10.6 tp -50.01 -54.54 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 28.5 t30 -59.27 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 44.4 mt-10 -46.39 -20.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.3 t60 -86.94 -53.41 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' HIS . 28.4 mtt-85 -37.78 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.503 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -49.57 -47.17 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 pt -45.95 -20.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ARG . 58.9 m-70 -91.15 -33.59 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 33' ' ' ARG . 65.4 p -90.0 43.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.37 -72.7 1.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 1.1 p90 -121.46 141.09 51.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -116.93 143.91 32.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -91.26 -70.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.94 80.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.7 -8.73 24.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 72.4 m -34.56 -64.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.5 p -90.72 128.09 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.493 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 t -90.55 113.19 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 49.87 41.95 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.85 80.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -63.68 -53.84 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -61.94 158.06 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.97 49.69 1.45 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 p -135.08 125.22 26.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.8 -31.42 3.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.97 123.93 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -107.25 154.39 40.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.584 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.79 -28.05 25.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.606 ' O ' HD13 ' A' ' 28' ' ' LEU . 8.4 m-85 -100.57 26.47 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.75 146.84 30.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' LYS . 12.5 t -75.69 152.63 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -111.6 -31.95 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.25 -43.59 64.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.37 -38.08 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 18.35 5.16 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.12 159.88 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 141.57 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 69.7 m-85 -139.17 179.96 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -108.36 -45.69 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -109.47 137.91 46.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -46.13 -46.76 17.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 m -41.64 -59.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -54.76 -43.14 72.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 13' ' ' TYR . 15.0 tp -58.89 -54.93 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -58.44 -35.81 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -48.3 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -58.72 -41.84 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -51.58 -16.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -52.67 -37.28 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -75.76 -22.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' HG13 ' A' ' 34' ' ' ILE . 22.8 m-70 -86.57 -26.13 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t -98.75 -27.39 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.94 109.31 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -153.97 134.62 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.45 143.96 45.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.1 27.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -94.12 83.86 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.49 -72.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -33.17 16.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.0 p -159.17 122.45 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -122.19 -59.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.467 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 159.41 39.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -144.34 169.77 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.24 162.82 21.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -118.42 118.16 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -74.16 -55.87 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.91 -168.84 21.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -125.59 164.75 19.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.08 -166.72 34.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -111.47 -55.85 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 4.9 ttpm? 52.23 55.02 14.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.554 0.693 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -44.52 2.01 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 5.8 m-85 -108.32 138.86 43.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -148.21 128.33 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -70.39 155.04 41.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 m -114.07 -33.38 5.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 17.3 mm-40 -50.81 -53.96 27.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.18 -43.8 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 37.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -94.97 -179.18 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.19 143.69 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.85 125.37 22.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -23.0 32.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -126.61 142.16 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' THR . 6.4 t-80 -58.51 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' HIS . 85.5 m -34.25 -55.28 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -52.76 -47.24 67.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD11 ' HE ' ' A' ' 32' ' ' ARG . 5.6 tp -57.97 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -41.48 -51.0 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.02 -56.7 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -49.34 -50.6 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HE ' HD11 ' A' ' 28' ' ' LEU . 66.8 mtt180 -43.51 -29.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 36' ' ' THR . 74.1 mtp85 -51.69 -41.72 61.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.8 pp -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -80.28 -33.55 37.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 33' ' ' ARG . 4.8 t -95.82 150.46 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.98 103.95 0.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -64.8 147.75 52.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.926 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -94.84 144.73 28.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.36 19.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' GLY . 17.0 m -56.08 -45.4 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -37.9 156.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.48 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -120.78 156.52 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 p -94.69 93.39 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.501 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -167.64 167.65 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -154.69 166.77 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.69 163.26 30.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -121.98 97.39 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 t -145.35 122.94 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.19 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 m -91.64 -58.06 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 92.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -121.94 107.35 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 22.9 mttm -134.78 69.98 71.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -12.65 33.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 2.1 m-85 -91.45 40.5 1.03 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.15 140.55 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 t -92.38 117.32 29.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.49 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 93.7 p -92.89 38.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' A' ' 16' ' ' SER . 1.9 mp0 -125.15 -44.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -123.01 -48.42 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.58 52.36 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -132.54 123.44 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 11' ' ' LYS . . . -101.3 146.88 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.041 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -128.51 173.84 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 10.8 p80 -100.66 -41.42 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.86 148.41 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' THR . 12.6 m-70 -56.75 -54.91 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' HIS . 3.3 p -35.25 -42.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -67.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 13' ' ' TYR . 57.6 tp -45.76 -47.15 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -61.66 -65.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -45.63 -31.88 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' HG12 ' A' ' 34' ' ' ILE . 28.0 t60 -73.26 -47.47 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -48.49 -18.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -52.8 -50.19 64.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 31' ' ' HIS . 5.6 pt -54.97 -18.78 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -93.31 -24.11 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -111.63 129.43 56.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.28 -76.23 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -142.8 151.52 41.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -125.62 142.04 40.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -1.05 7.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.629 2.219 . . . . 0.0 112.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -102.08 91.03 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.25 173.37 19.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.42 11.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -75.42 89.29 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.6 m -55.5 -52.34 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.469 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.67 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.944 0.402 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -139.1 135.27 33.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -74.93 118.93 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -96.27 44.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.01 -43.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.6 -44.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.13 34.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.2 mttm -99.05 165.15 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.12 144.24 26.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -141.59 159.0 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -88.67 -36.22 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.98 107.48 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -37.65 -42.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -43.61 -61.01 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -50.05 -56.23 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 13' ' ' TYR . 22.4 tp -43.5 -53.6 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -55.32 -48.85 73.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -55.32 -31.45 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.3 t60 -72.41 -55.83 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' HIS . 27.5 mtt-85 -40.24 -31.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 36' ' ' THR . 31.3 mtp85 -43.03 -42.01 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.4 pp -73.03 -28.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ARG . 19.6 m-70 -71.88 -31.49 66.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 33' ' ' ARG . 14.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.936 0.398 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -97.73 126.3 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.3 132.4 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -91.44 -25.56 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.55 -56.99 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -102.28 -41.44 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -112.1 169.38 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.28 132.55 20.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -123.43 157.02 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.04 -49.59 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -101.26 161.82 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -73.18 -46.58 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 m -43.58 -46.57 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -60.39 -55.91 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.15 -55.42 21.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -45.12 -47.63 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.94 -54.82 40.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -49.32 -52.15 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -39.03 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.4 mtt-85 -49.59 -50.37 42.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.99 -18.59 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 -32.54 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.6 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.923 0.392 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.13 123.63 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.17 111.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -85.47 40.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -133.43 -40.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -123.58 -37.06 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.11 58.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -128.34 128.96 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.07 137.0 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.45 176.45 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -103.72 -35.27 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -112.78 121.99 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.4 t-160 -41.91 -59.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.8 m -37.12 -53.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -50.76 -44.39 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.2 tp -63.06 -60.11 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -46.07 -38.68 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.66 -31.73 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -63.33 -39.5 94.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.492 ' O ' HG22 ' A' ' 36' ' ' THR . 51.0 mtp85 -62.85 -15.01 52.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -44.84 -32.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.641 HD11 ' CE1' ' A' ' 35' ' ' HIS . 2.9 pt -76.28 -30.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.641 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.9 m-70 -87.62 -5.65 58.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' ARG . 9.0 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' CE2' ' CD2' ' A' ' 25' ' ' HIS . 2.9 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.926 0.393 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -130.46 124.95 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -62.69 122.31 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.4 t -93.91 37.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.2 mp0 -127.42 -32.11 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -134.73 -47.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.28 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -129.01 119.45 24.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.777 0.322 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 13' ' ' TYR . . . -112.66 147.88 35.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 31.4 m-85 -136.4 128.3 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -55.6 -22.95 24.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -116.42 118.23 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.791 ' CD2' ' CE2' ' A' ' 13' ' ' TYR . 1.4 m170 -46.51 -51.44 15.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.54 -40.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -68.44 -52.99 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 13' ' ' TYR . 5.7 tp -60.59 -56.52 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -43.87 -33.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.5 t60 -46.48 -52.41 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.19 -25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.0 mtp-105 -51.02 -44.57 61.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.22 -22.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 46.0 m-70 -87.6 -34.49 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -86.36 140.32 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.3 118.45 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 t -90.84 37.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.3 mp0 -127.82 -33.59 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.01 -47.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.67 45.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.431 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 7.2 mtpm? -115.68 172.03 7.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 134.51 28.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -126.83 158.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -94.3 -44.91 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -98.7 125.37 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' THR . 10.4 t-80 -39.07 -57.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' HIS . 96.4 m -34.43 -46.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.54 -52.61 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' TYR . 19.9 tp -57.66 -51.03 71.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -60.21 -61.97 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.44 -30.85 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.4 t60 -72.61 -55.57 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -38.89 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 50.5 mtm180 -49.61 -52.39 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.55 -17.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.1 m-70 -99.58 -28.02 13.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' THR . 7.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.7 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.94 0.4 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' HB2' ' A' ' 21' ' ' ALA . 42.8 tptt -136.54 106.01 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 t -48.41 127.91 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -104.74 42.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -130.01 -38.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -129.3 -41.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 33.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 8.9 tptm -96.03 154.87 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 14' ' ' LYS . . . -139.16 141.14 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 78.0 m-85 -137.24 138.55 40.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 15.7 t60 -66.41 -37.76 85.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 55.6 mtt180 -105.11 143.83 32.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -60.53 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -44.54 -47.53 10.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -58.25 -52.76 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.7 tp -51.87 -52.49 49.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -56.9 -46.6 81.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.85 -17.52 37.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' ARG . 38.7 t60 -90.66 -50.23 6.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -43.23 -23.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mtt85 -49.59 -47.07 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.08 -18.62 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.97 -25.1 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 36' ' ' THR . 4.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 53.9 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -107.26 139.54 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.1 t -78.57 154.73 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -110.28 -28.86 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.1 mm-40 -58.79 -49.79 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.85 -47.75 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.24 28.46 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -96.95 133.78 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 146.2 35.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -124.85 173.49 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -83.06 -55.35 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -105.17 138.06 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.8 t-80 -44.85 -57.7 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.3 m -37.53 -52.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -53.09 -48.6 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD23 HH21 ' A' ' 32' ' ' ARG . 19.3 tp -58.2 -52.13 66.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -48.25 -55.75 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.35 -35.33 60.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.3 t60 -69.13 -47.99 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.475 HH21 HD23 ' A' ' 28' ' ' LEU . 41.9 mtt180 -43.3 -23.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' THR . 51.1 mtt180 -50.73 -48.89 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 35' ' ' HIS . 17.6 pt -45.26 -23.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.0 m-70 -98.12 -26.06 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 36' ' ' THR . 3.7 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CE1' ' CG ' ' A' ' 25' ' ' HIS . 1.3 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.927 0.394 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -152.89 120.09 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -72.59 107.51 5.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -71.5 -36.95 71.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -41.65 -60.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.82 -38.44 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.11 37.17 1.7 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -114.19 124.35 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.0 160.65 15.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 10.2 m-85 -148.57 153.52 38.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -82.01 -31.64 30.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -98.34 98.05 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 5.7 t-160 -43.57 -31.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -62.87 -51.13 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' HG3' ' A' ' 24' ' ' ARG . 11.8 m170 -57.67 -49.02 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.4 tp -47.88 -56.35 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -47.85 -42.61 26.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 9.7 mm-40 -66.11 -26.03 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -78.14 -54.24 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -39.89 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtm105 -49.82 -44.37 49.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 pt -50.01 -23.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -88.9 -32.66 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.923 0.392 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -167.03 127.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.96 154.61 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -110.44 -37.44 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 8.4 mm-40 -48.97 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -98.0 -40.12 8.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.13 38.21 2.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -106.18 130.39 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.31 149.34 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.078 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 93.5 m-85 -132.77 148.93 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -75.92 -23.18 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -129.99 152.33 49.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 29' ' ' ASN . 57.8 t-80 -65.46 -50.05 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 1.3 t -37.61 -42.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 23.3 m170 -65.72 -58.81 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -51.02 -47.73 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 42.3 t30 -54.01 -55.81 23.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.85 -24.73 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -65.24 -45.28 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.716 ' O ' HG23 ' A' ' 36' ' ' THR . 73.7 mtp180 -51.5 -17.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -47.33 -38.9 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.4 pt -70.56 -25.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 47.7 m-70 -85.98 -33.88 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 32' ' ' ARG . 5.0 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.828 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.7 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.977 0.418 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -120.95 105.92 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 19' ' ' GLY . 29.2 t -52.35 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -61.43 -31.48 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -60.34 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.86 -41.53 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.91 25.73 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -86.71 167.72 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.51 145.49 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -139.76 162.33 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -91.89 -41.58 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -101.65 116.21 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -37.89 -50.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p -41.43 -53.13 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -51.06 -54.17 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' A' ' 13' ' ' TYR . 17.6 tp -49.83 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -39.14 -56.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -55.58 -43.38 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -59.35 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -46.21 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 35.6 mtp180 -50.3 -43.79 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -59.01 -21.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 90.7 m-70 -90.0 -19.93 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.185 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 67.1 m-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.929 0.395 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -124.9 127.18 46.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.21 110.41 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -74.74 -31.83 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.7 mp0 -49.04 -59.56 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.66 -37.16 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.61 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -115.31 178.42 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.74 143.71 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.33 164.87 26.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.59 -36.77 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.78 136.29 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.6 t-80 -59.49 -27.67 66.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -27.83 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -80.73 -47.32 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.4 tp -60.62 -49.23 78.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -55.07 -43.72 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -68.08 -53.92 21.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 15.0 mtp-105 -46.33 -20.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -52.51 -34.89 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.8 pt -65.21 -24.95 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 72.0 m-70 -80.61 -14.9 57.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.939 0.4 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -154.16 107.72 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.48 125.13 16.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -86.15 -27.93 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -52.25 -51.68 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 p -108.87 -40.34 5.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 39.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -107.03 164.07 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.44 142.42 50.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -128.4 149.62 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.17 -49.08 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 -114.6 150.41 35.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 26' ' ' THR . 5.7 p-80 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 52.0 p -43.94 -48.94 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.25 -54.09 47.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -53.14 -57.82 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -54.95 -22.46 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 6.2 t60 -82.97 -49.93 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' HIS . 49.7 mtt180 -34.5 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mpt_? -47.2 -49.74 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 5.8 pt -42.05 -25.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 83.7 m-70 -88.61 -34.2 17.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' ARG . 70.8 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 37.2 m-85 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -158.79 114.17 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.38 119.46 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -79.52 -31.73 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 69.2 mm-40 -46.97 -57.44 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.7 -39.35 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.13 36.92 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -100.68 165.33 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 142.39 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 86.9 m-85 -132.4 137.6 47.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.587 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -65.11 -32.53 74.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.587 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 13.2 mmp_? -116.38 152.62 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.5 t-80 -66.75 -45.64 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -44.53 -45.85 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.3 m-70 -62.89 -45.72 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.5 tp -59.19 -57.86 11.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -53.27 -52.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.35 -46.66 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.7 t60 -56.1 -50.66 70.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -42.17 -24.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 78.4 mtt-85 -47.43 -49.95 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.7 pt -52.36 -25.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 33.7 m-70 -89.78 -18.03 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 25' ' ' HIS . 58.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.989 0.423 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -130.33 111.78 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.05 119.12 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -88.05 37.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -126.79 -46.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.49 -48.8 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.21 39.19 0.46 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -111.03 154.27 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.12 139.49 53.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.21 162.15 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -88.48 -43.2 11.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.25 122.39 44.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.8 t-80 -47.68 -51.3 22.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 64.4 p -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -66.55 -55.26 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 tp -48.95 -53.72 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 45.6 t-20 -58.08 -58.04 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 28.3 mt-10 -55.47 -15.92 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.3 t60 -89.46 -51.58 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -39.46 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' HE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -52.15 -45.68 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 pt -47.53 -21.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -96.47 -24.22 16.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.2 134.34 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.56 117.18 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -92.17 40.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -130.33 -38.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -125.54 -44.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.02 37.67 0.6 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -118.9 125.19 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.79 160.31 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 21.1 m-85 -140.01 130.6 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -56.08 -34.12 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -113.64 154.92 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -75.96 -47.26 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -44.52 -31.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -77.59 -48.18 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.22 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 48.5 t30 -52.03 -39.71 59.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 7.9 tt0 -78.31 -23.63 47.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.2 t60 -70.63 -57.36 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -38.84 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -47.99 -47.29 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -58.75 -23.21 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 26.8 m-70 -88.48 -17.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' HA ' HD22 ' A' ' 28' ' ' LEU . 5.8 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -82.74 125.45 31.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -71.36 108.68 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.405 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.9 m -88.97 39.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.7 mp0 -122.84 -36.78 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.1 -39.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 52.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -119.09 166.15 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.16 149.18 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 4.8 m-85 -144.11 147.08 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 45.5 p-80 -80.08 -34.89 37.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 19.8 mtm180 -102.64 148.45 25.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -64.62 -46.55 82.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 27' ' ' HIS . 8.7 t -50.8 -42.01 57.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 26' ' ' THR . 10.9 m170 -60.43 -49.25 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 41.7 tp -53.8 -50.99 64.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -61.53 -54.49 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -45.02 -41.65 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ARG . 66.5 t60 -68.85 -55.66 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -41.69 -24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.9 mtp85 -49.91 -43.33 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -67.18 -18.58 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.91 -30.25 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 33' ' ' ARG . 5.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 30.5 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.937 0.398 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 97.65 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 45.4 t -56.45 108.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -70.1 -33.72 72.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -43.84 -51.03 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.72 -37.13 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.23 32.52 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -86.41 164.48 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.51 134.63 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 38.2 m-85 -132.86 148.69 52.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -64.11 -52.97 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -104.0 166.06 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.6 t-80 -71.09 -48.36 52.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.3 p -40.15 -47.08 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 27.4 m170 -62.83 -53.87 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 10.6 tp -50.01 -54.54 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 28.5 t30 -59.27 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 44.4 mt-10 -46.39 -20.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.3 t60 -86.94 -53.41 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' HIS . 28.4 mtt-85 -37.78 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.503 ' HE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -49.57 -47.17 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 pt -45.95 -20.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ARG . 58.9 m-70 -91.15 -33.59 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 33' ' ' ARG . 65.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.606 ' O ' HD13 ' A' ' 28' ' ' LEU . 8.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.956 0.407 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.75 146.84 30.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' LYS . 12.5 t -75.69 152.63 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -111.6 -31.95 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.25 -43.59 64.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.37 -38.08 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 18.35 5.16 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.12 159.88 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 141.57 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 69.7 m-85 -139.17 179.96 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -108.36 -45.69 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -109.47 137.91 46.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -46.13 -46.76 17.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 m -41.64 -59.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -54.76 -43.14 72.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 13' ' ' TYR . 15.0 tp -58.89 -54.93 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -58.44 -35.81 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -48.3 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -58.72 -41.84 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -51.58 -16.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -52.67 -37.28 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -75.76 -22.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' HG13 ' A' ' 34' ' ' ILE . 22.8 m-70 -86.57 -26.13 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.947 0.403 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -148.21 128.33 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -70.39 155.04 41.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 m -114.07 -33.38 5.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 17.3 mm-40 -50.81 -53.96 27.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.18 -43.8 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 37.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -94.97 -179.18 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.19 143.69 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.85 125.37 22.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.533 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -56.16 -23.0 32.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 1.1 mpp_? -126.61 142.16 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.7 t-160 -58.51 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' HIS . 85.5 m -34.25 -55.28 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -52.76 -47.24 67.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD11 ' HE ' ' A' ' 32' ' ' ARG . 5.6 tp -57.97 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -41.48 -51.0 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.02 -56.7 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -49.34 -50.6 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HE ' HD11 ' A' ' 28' ' ' LEU . 66.8 mtt180 -43.51 -29.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 36' ' ' THR . 74.1 mtp85 -51.69 -41.72 61.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.8 pp -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -80.28 -33.55 37.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 33' ' ' ARG . 4.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 2.1 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.954 0.407 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.15 140.55 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 t -92.38 117.32 29.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.49 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 93.7 p -92.89 38.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' A' ' 16' ' ' SER . 1.9 mp0 -125.15 -44.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -123.01 -48.42 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.58 52.36 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -132.54 123.44 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.3 146.88 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.041 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -128.51 173.84 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 10.8 p80 -100.66 -41.42 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.86 148.41 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.0 m80 -56.75 -54.91 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' HIS . 3.3 p -35.25 -42.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -67.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 13' ' ' TYR . 57.6 tp -45.76 -47.15 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -61.66 -65.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -45.63 -31.88 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' HG12 ' A' ' 34' ' ' ILE . 28.0 t60 -73.26 -47.47 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -48.49 -18.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -52.8 -50.19 64.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 31' ' ' HIS . 5.6 pt -54.97 -18.78 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -93.31 -24.11 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -102.53 163.35 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -137.17 142.32 42.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 157.49 -122.01 1.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 88.3 p 34.41 41.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.905 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -97.58 123.47 41.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.13 72.79 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.5 t -53.2 148.43 8.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.87 98.96 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -135.03 134.99 40.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -39.01 144.07 0.44 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.521 0.677 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.74 -33.2 17.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.67 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.9 m-85 -105.21 130.01 53.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -139.1 135.27 33.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.7 t -74.93 118.93 18.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 t -96.27 44.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -131.01 -43.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.6 -44.52 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.13 34.39 0.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 42.2 mttm -99.05 165.15 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.12 144.24 26.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -141.59 159.0 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -88.67 -36.22 16.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -101.98 107.48 18.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -37.65 -42.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -43.61 -61.01 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -50.05 -56.23 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 13' ' ' TYR . 22.4 tp -43.5 -53.6 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -55.32 -48.85 73.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -55.32 -31.45 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.3 t60 -72.41 -55.83 6.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' HIS . 27.5 mtt-85 -40.24 -31.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 36' ' ' THR . 31.3 mtp85 -43.03 -42.01 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.4 pp -73.03 -28.49 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ARG . 19.6 m-70 -71.88 -31.49 66.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 33' ' ' ARG . 14.9 t -83.26 34.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 36.06 88.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.512 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -90.31 93.13 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -112.08 144.13 30.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.617 0.722 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.3 m -77.12 131.1 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.41 -165.01 28.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.76 37.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 0.0 112.322 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 t -130.15 169.4 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 t -119.58 117.9 29.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.439 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -76.55 -55.91 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -66.88 168.78 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.09 -101.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m 56.08 46.0 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -102.26 92.34 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.07 -141.56 26.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.3 p -151.67 168.75 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.17 -137.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 55.75 45.79 23.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -126.28 70.34 69.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.77 -13.59 34.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -95.91 41.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.956 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 tttt -97.73 126.3 43.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -83.3 132.4 35.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 m -91.44 -25.56 19.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -55.55 -56.99 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -102.28 -41.44 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -112.1 169.38 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.28 132.55 20.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -123.43 157.02 34.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.04 -49.59 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -101.26 161.82 13.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -73.18 -46.58 49.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.9 m -43.58 -46.57 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -60.39 -55.91 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.15 -55.42 21.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -45.12 -47.63 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -60.94 -54.82 40.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -49.32 -52.15 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -39.03 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' HIS . 21.4 mtt-85 -49.59 -50.37 42.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.99 -18.59 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -99.92 -32.54 10.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.85 96.58 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.65 -123.45 1.05 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -150.38 125.47 9.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.935 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -144.66 152.19 52.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.582 0.705 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.66 31.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 t -40.96 -67.93 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.28 155.39 13.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 88.24 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -157.73 120.48 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -112.38 135.07 53.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.489 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -125.25 122.16 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -169.51 129.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.44 163.55 25.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m 60.91 50.04 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.377 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.78 11.99 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.96 142.67 17.7 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -84.06 5.13 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.26 105.97 1.07 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -67.91 166.19 16.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -130.34 143.91 51.13 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.584 0.706 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.86 37.43 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' HB3' HD22 ' A' ' 28' ' ' LEU . 37.6 m-85 -106.34 96.59 6.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.13 123.63 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.17 111.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -85.47 40.63 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -133.43 -40.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.6 p -123.58 -37.06 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.11 58.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 tttm -128.34 128.96 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.07 137.0 40.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.45 176.45 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -103.72 -35.27 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -112.78 121.99 46.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.4 t-160 -41.91 -59.71 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.8 m -37.12 -53.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -50.76 -44.39 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.2 tp -63.06 -60.11 3.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -46.07 -38.68 8.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.66 -31.73 52.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -63.33 -39.5 94.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.492 ' O ' HG22 ' A' ' 36' ' ' THR . 51.0 mtp85 -62.85 -15.01 52.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -44.84 -32.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.641 HD11 ' CE1' ' A' ' 35' ' ' HIS . 2.9 pt -76.28 -30.95 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.641 ' CE1' HD11 ' A' ' 34' ' ' ILE . 17.9 m-70 -87.62 -5.65 58.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' ARG . 9.0 t -124.89 158.59 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.57 58.5 7.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -72.6 163.17 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -86.56 143.93 36.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.81 24.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -126.58 118.18 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.03 -163.49 37.15 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.7 18.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.628 2.219 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -110.69 111.7 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.3 p -144.01 113.18 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.448 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -165.64 127.76 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -95.3 129.7 42.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.14 78.61 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -119.55 114.29 22.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -115.73 110.75 19.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.53 111.65 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.3 p -126.96 -8.24 6.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.86 -31.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.84 -55.67 24.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -111.28 80.92 2.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.534 0.683 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -5.16 15.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' CE2' ' CD2' ' A' ' 25' ' ' HIS . 2.9 m-85 -96.85 111.68 23.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -130.46 124.95 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 t -62.69 122.31 15.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.5 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.4 t -93.91 37.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.2 mp0 -127.42 -32.11 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -134.73 -47.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.28 50.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -129.01 119.45 24.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.777 0.322 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB1' ' O ' ' A' ' 13' ' ' TYR . . . -112.66 147.88 35.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 31.4 m-85 -136.4 128.3 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -55.6 -22.95 24.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -116.42 118.23 32.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.791 ' CD2' ' CE2' ' A' ' 13' ' ' TYR . 1.4 m170 -46.51 -51.44 15.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -38.54 -40.38 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -68.44 -52.99 26.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD22 ' HB3' ' A' ' 13' ' ' TYR . 5.7 tp -60.59 -56.52 20.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -43.87 -33.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.19 -51.08 8.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' ARG . 3.5 t60 -46.48 -52.41 13.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -40.19 -25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' HIS . 12.0 mtp-105 -51.02 -44.57 61.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -50.22 -22.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' ILE . 46.0 m-70 -87.6 -34.49 18.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 p -75.45 144.4 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.185 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.54 -171.71 45.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -59.96 173.95 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.372 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -103.45 143.98 27.73 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.7 . . . . 0.0 110.85 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.02 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -148.43 172.55 14.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.1 74.86 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.1 9.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.755 2.303 . . . . 0.0 112.302 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.4 t -136.51 108.57 7.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -74.58 149.91 39.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.466 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -118.11 -49.91 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.833 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -70.54 -43.1 70.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.81 137.29 0.37 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -107.5 -47.43 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -47.63 131.75 14.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.68 -69.77 1.04 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 t 52.28 44.18 30.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.376 . . . . 0.0 110.81 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.16 62.07 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -89.95 72.79 7.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.78 71.36 67.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -2.14 9.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' HB3' HD22 ' A' ' 28' ' ' LEU . 2.7 m-85 -86.06 64.93 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.2 tttt -86.36 140.32 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.8 t -86.3 118.45 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.493 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 t -90.84 37.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.3 mp0 -127.82 -33.59 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 p -128.01 -47.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.67 45.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 7.2 mtpm? -115.68 172.03 7.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.04 134.51 28.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -126.83 158.18 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -94.3 -44.91 7.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -98.7 125.37 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 26' ' ' THR . 10.4 t-80 -39.07 -57.85 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' HIS . 96.4 m -34.43 -46.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -61.54 -52.61 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' TYR . 19.9 tp -57.66 -51.03 71.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -60.21 -61.97 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.44 -30.85 5.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.4 t60 -72.61 -55.57 6.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -38.89 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 50.5 mtm180 -49.61 -52.39 30.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -51.55 -17.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.1 m-70 -99.58 -28.02 13.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' THR . 7.1 t -116.48 117.69 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.76 163.73 32.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -90.49 151.67 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.918 0.39 . . . . 0.0 110.905 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -114.82 146.84 36.93 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 100.06 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m -53.61 128.54 29.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.22 146.16 10.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -12.73 33.56 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.354 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -49.09 132.69 19.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 t -70.57 153.95 42.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.504 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 t -134.61 112.56 10.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.83 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -75.54 82.23 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.73 179.87 16.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -145.27 144.64 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.386 . . . . 0.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -110.83 148.64 31.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.95 76.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -116.29 122.64 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.19 130.73 10.37 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.51 -27.87 11.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -59.45 145.55 81.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.556 0.693 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.04 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 28' ' ' LEU . 33.7 m-85 -79.89 123.96 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' HB2' ' A' ' 21' ' ' ALA . 42.8 tptt -136.54 106.01 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.8 t -48.41 127.91 13.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -104.74 42.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -130.01 -38.43 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -129.3 -41.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.0 33.3 0.6 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 8.9 tptm -96.03 154.87 17.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 14' ' ' LYS . . . -139.16 141.14 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 78.0 m-85 -137.24 138.55 40.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 15.7 t60 -66.41 -37.76 85.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 55.6 mtt180 -105.11 143.83 32.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -60.53 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 p -44.54 -47.53 10.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 12.1 m170 -58.25 -52.76 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.7 tp -51.87 -52.49 49.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -56.9 -46.6 81.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.85 -17.52 37.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 33' ' ' ARG . 38.7 t60 -90.66 -50.23 6.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -43.23 -23.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 31' ' ' HIS . 14.3 mtt85 -49.59 -47.07 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -63.08 -18.62 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.97 -25.1 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 36' ' ' THR . 4.3 t -113.99 124.01 51.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.58 37.23 24.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -70.74 157.44 38.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -132.46 147.84 67.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 0.0 110.832 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.65 26.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -169.6 124.48 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.1 143.25 3.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -9.73 26.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.376 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.5 t -116.03 82.89 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t 40.33 43.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.177 -0.79 . . . . 0.0 112.471 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -69.41 171.27 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -155.12 165.67 35.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.04 149.85 18.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -101.11 43.97 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.874 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -116.37 123.33 47.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.3 111.53 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.1 t -73.5 -50.5 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.971 0.415 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.75 155.95 8.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -118.89 124.15 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 152.95 92.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.546 0.689 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -3.41 11.97 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 53.9 m-85 -110.81 73.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -107.26 139.54 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.1 t -78.57 154.73 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -110.28 -28.86 8.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.1 mm-40 -58.79 -49.79 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.85 -47.75 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.24 28.46 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -96.95 133.78 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.7 146.2 35.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -124.85 173.49 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -83.06 -55.35 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -105.17 138.06 41.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 48.8 t-80 -44.85 -57.7 3.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' HIS . 26.3 m -37.53 -52.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -53.09 -48.6 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD23 HH21 ' A' ' 32' ' ' ARG . 19.3 tp -58.2 -52.13 66.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -48.25 -55.75 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.35 -35.33 60.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.3 t60 -69.13 -47.99 63.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.475 HH21 HD23 ' A' ' 28' ' ' LEU . 41.9 mtt180 -43.3 -23.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 36' ' ' THR . 51.1 mtt180 -50.73 -48.89 58.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 35' ' ' HIS . 17.6 pt -45.26 -23.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.0 m-70 -98.12 -26.06 14.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 36' ' ' THR . 3.7 t -118.77 74.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.13 -47.55 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -146.74 131.13 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -132.41 149.97 74.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 160.03 51.22 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -75.25 -64.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.29 146.47 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -16.23 37.27 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.1 t -94.52 126.07 39.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t 69.76 45.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.5 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 p -173.26 118.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.891 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -125.15 152.31 44.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.27 -150.0 5.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -149.83 165.54 32.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -115.41 169.81 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.69 159.19 22.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -95.65 157.45 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.821 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 44.6 1.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.45 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.28 44.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.389 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -129.05 80.92 71.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.73 -40.54 5.24 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CE1' ' CG ' ' A' ' 25' ' ' HIS . 1.3 m-85 -112.71 131.82 55.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -152.89 120.09 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.9 t -72.59 107.51 5.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -71.5 -36.95 71.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -41.65 -60.01 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.1 p -104.82 -38.44 6.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.11 37.17 1.7 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -114.19 124.35 51.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.0 160.65 15.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 10.2 m-85 -148.57 153.52 38.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -82.01 -31.64 30.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -98.34 98.05 9.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 5.7 t-160 -43.57 -31.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.1 p -62.87 -51.13 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CG ' ' HG3' ' A' ' 24' ' ' ARG . 11.8 m170 -57.67 -49.02 77.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 13' ' ' TYR . 9.4 tp -47.88 -56.35 7.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -47.85 -42.61 26.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 9.7 mm-40 -66.11 -26.03 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.8 t60 -78.14 -54.24 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -39.89 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtm105 -49.82 -44.37 49.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 pt -50.01 -23.26 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -88.9 -32.66 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.2 p -99.01 82.56 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.32 68.51 0.2 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -162.97 154.05 17.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -81.64 143.97 51.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.8 33.89 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -117.67 41.93 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.61 83.44 1.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -174.12 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m 54.57 42.93 30.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 m -101.83 96.55 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.47 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -119.66 42.06 2.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 m 39.85 42.08 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 -94.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -166.69 132.29 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -55.39 173.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.27 -101.35 1.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 p -40.16 112.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.41 67.93 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -137.23 136.91 38.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HD2' ' HB1' ' A' ' 21' ' ' ALA . 28.9 mtmm -117.89 140.98 28.45 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.82 -50.4 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.244 . . . . 0.0 112.316 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 3.6 m-85 -106.78 147.65 29.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -167.03 127.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.6 t -78.96 154.61 29.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -110.44 -37.44 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 8.4 mm-40 -48.97 -62.96 1.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.5 p -98.0 -40.12 8.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.13 38.21 2.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -106.18 130.39 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 11' ' ' LYS . . . -103.31 149.34 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.078 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 27' ' ' HIS . 93.5 m-85 -132.77 148.93 52.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -75.92 -23.18 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -129.99 152.33 49.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 29' ' ' ASN . 57.8 t-80 -65.46 -50.05 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 1.3 t -37.61 -42.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 23.3 m170 -65.72 -58.81 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -51.02 -47.73 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 42.3 t30 -54.01 -55.81 23.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.85 -24.73 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -65.24 -45.28 85.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.716 ' O ' HG23 ' A' ' 36' ' ' THR . 73.7 mtp180 -51.5 -17.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -47.33 -38.9 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 35' ' ' HIS . 8.4 pt -70.56 -25.69 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' N ' HG13 ' A' ' 34' ' ' ILE . 47.7 m-70 -85.98 -33.88 20.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 32' ' ' ARG . 5.0 p -64.32 127.77 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.47 153.18 44.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -37.87 141.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -136.16 147.73 61.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -1.22 8.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 t -65.87 92.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.11 146.18 9.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 119.22 6.21 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 t -124.87 89.67 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -170.45 164.92 8.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.52 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -163.63 135.22 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -140.5 155.34 46.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.84 -138.67 14.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -101.58 81.63 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -91.19 -55.39 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.06 96.42 1.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -62.76 -45.11 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.43 105.25 1.31 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.455 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.94 134.86 18.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -93.01 143.92 27.56 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.618 0.723 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -42.18 3.68 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.828 ' HB3' HD22 ' A' ' 28' ' ' LEU . 24.7 m-85 -94.91 88.42 5.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -120.95 105.92 11.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 19' ' ' GLY . 29.2 t -52.35 97.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -61.43 -31.48 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -60.34 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -101.86 -41.53 6.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 118.91 25.73 2.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -86.71 167.72 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.347 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.51 145.49 30.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -139.76 162.33 35.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -91.89 -41.58 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -101.65 116.21 32.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -37.89 -50.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p -41.43 -53.13 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -51.06 -54.17 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.828 HD22 ' HB3' ' A' ' 13' ' ' TYR . 17.6 tp -49.83 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -39.14 -56.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -55.58 -43.38 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -59.35 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -46.21 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 35.6 mtp180 -50.3 -43.79 53.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -59.01 -21.17 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 90.7 m-70 -90.0 -19.93 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -114.49 118.73 34.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.185 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.27 45.37 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -80.66 163.38 23.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 110.933 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 25.0 ttp180 -66.3 140.19 96.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 39' ' ' ARG . 53.4 Cg_endo -69.8 169.57 18.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -91.02 103.16 15.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.38 -95.01 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.73 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.1 p -58.61 163.76 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -115.43 -62.3 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.467 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -134.35 132.19 39.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -74.26 142.1 45.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.94 44.21 2.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -45.5 147.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -131.41 -43.76 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.07 -144.92 18.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 p 43.62 41.45 3.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.05 61.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -123.48 -43.81 2.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -70.03 140.8 88.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.569 0.7 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.73 -36.94 9.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 67.1 m-85 -100.89 98.68 9.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -124.9 127.18 46.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.21 110.41 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -74.74 -31.83 61.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.7 mp0 -49.04 -59.56 3.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 p -101.66 -37.16 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.61 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -115.31 178.42 4.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.792 0.33 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.74 143.71 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.33 164.87 26.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -92.59 -36.77 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -111.78 136.29 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.6 t-80 -59.49 -27.67 66.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -27.83 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -80.73 -47.32 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 13' ' ' TYR . 6.4 tp -60.62 -49.23 78.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -55.07 -43.72 74.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -68.08 -53.92 21.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 15.0 mtp-105 -46.33 -20.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -52.51 -34.89 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.8 pt -65.21 -24.95 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 72.0 m-70 -80.61 -14.9 57.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -122.12 136.92 54.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.73 -117.15 2.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.543 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -96.88 177.7 5.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.928 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' CD ' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -86.86 145.18 38.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.565 0.698 . . . . 0.0 110.883 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 152.68 69.42 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 t -109.78 109.25 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 149.74 -163.92 29.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.1 7.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 p -72.04 -50.75 25.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.8 m -59.6 87.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.47 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -158.78 124.29 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -114.01 142.36 46.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.65 176.07 15.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.448 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 p -98.48 129.6 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -57.17 -50.74 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.85 76.33 0.13 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m -68.79 83.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.382 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -152.03 -44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' GLY . 6.7 mm-40 -34.75 134.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 3.7 mppt? -94.42 144.24 27.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.76 -39.51 6.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.712 2.274 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 7.1 m-85 -112.25 145.04 40.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -154.16 107.72 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -53.48 125.13 16.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 m -86.15 -27.93 24.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -52.25 -51.68 56.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 p -108.87 -40.34 5.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.7 39.2 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -107.03 164.07 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.44 142.42 50.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -128.4 149.62 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.17 -49.08 75.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 -114.6 150.41 35.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 26' ' ' THR . 5.7 p-80 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.462 ' N ' ' CG ' ' A' ' 25' ' ' HIS . 52.0 p -43.94 -48.94 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -59.52 -46.93 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.25 -54.09 47.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -53.14 -57.82 9.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -54.95 -22.46 15.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' ARG . 6.2 t60 -82.97 -49.93 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' HIS . 49.7 mtt180 -34.5 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mpt_? -47.2 -49.74 22.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' CE1' ' A' ' 31' ' ' HIS . 5.8 pt -42.05 -25.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 83.7 m-70 -88.61 -34.2 17.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 33' ' ' ARG . 70.8 p -91.54 85.21 5.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.97 157.63 2.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.485 ' CZ ' ' O ' ' A' ' 39' ' ' ARG . 28.5 t80 -67.11 148.99 51.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' O ' ' CZ ' ' A' ' 38' ' ' TYR . 23.9 mtt85 -110.61 143.98 29.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 175.19 8.49 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 -43.2 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.88 -75.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 95.39 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.5 p -122.9 109.34 14.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.5 t -41.84 -61.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.482 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t -132.14 140.79 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -50.08 137.19 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.37 -165.68 53.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 p -117.76 120.6 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -87.98 125.01 34.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.71 56.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -120.06 -59.99 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.51 68.27 1.5 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -62.47 126.62 27.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -115.55 152.24 46.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.559 0.695 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -18.27 36.96 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 37.2 m-85 -110.97 130.59 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -158.79 114.17 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.38 119.46 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -79.52 -31.73 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 69.2 mm-40 -46.97 -57.44 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.7 -39.35 6.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.13 36.92 1.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -100.68 165.33 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 142.39 48.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 86.9 m-85 -132.4 137.6 47.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.587 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -65.11 -32.53 74.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.587 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 13.2 mmp_? -116.38 152.62 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.5 t-80 -66.75 -45.64 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -44.53 -45.85 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 4.3 m-70 -62.89 -45.72 91.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.5 tp -59.19 -57.86 11.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -53.27 -52.73 58.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -57.35 -46.66 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.7 t60 -56.1 -50.66 70.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -42.17 -24.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' HIS . 78.4 mtt-85 -47.43 -49.95 23.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.7 pt -52.36 -25.75 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 33.7 m-70 -89.78 -18.03 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.3 p -129.73 90.8 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.15 -93.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.521 ' CD2' ' HD3' ' A' ' 40' ' ' PRO . 13.5 p90 -128.57 161.67 29.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.934 0.397 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mmt85 -108.65 79.82 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.521 ' HD3' ' CD2' ' A' ' 38' ' ' TYR . 53.9 Cg_endo -69.74 -33.48 16.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -157.45 123.29 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.807 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.84 -179.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 119.08 6.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.339 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.4 t -123.32 -50.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -73.1 87.76 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.513 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -150.5 142.63 24.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -147.42 155.51 42.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.68 157.83 23.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -119.31 103.94 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -58.51 -48.56 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 122.95 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -95.69 114.09 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . 39.42 78.21 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' GLY . 2.6 pt-20 -34.64 -49.92 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.57 148.78 47.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 54.1 Cg_endo -69.76 -5.43 16.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.354 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 25' ' ' HIS . 58.3 m-85 -113.4 104.29 12.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -130.33 111.78 12.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.8 t -52.05 119.12 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 t -88.05 37.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -126.79 -46.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.49 -48.8 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.21 39.19 0.46 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -111.03 154.27 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.12 139.49 53.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -128.21 162.15 27.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -88.48 -43.2 11.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.806 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 24' ' ' ARG . 0.2 OUTLIER -102.25 122.39 44.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 34.8 t-80 -47.68 -51.3 22.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' HIS . 64.4 p -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -66.55 -55.26 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 13' ' ' TYR . 3.8 tp -48.95 -53.72 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.494 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 45.6 t-20 -58.08 -58.04 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 28.3 mt-10 -55.47 -15.92 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' ARG . 5.3 t60 -89.46 -51.58 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -39.46 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' HE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -52.15 -45.68 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.4 pt -47.53 -21.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -96.47 -24.22 16.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 33' ' ' ARG . 2.2 t -121.01 113.39 20.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' TYR . . . -102.6 70.98 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' GLY . 5.4 p90 -38.03 128.05 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -89.96 143.47 30.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.616 0.722 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -14.1 35.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -78.92 167.8 20.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.75 145.79 7.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -12.44 32.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.312 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -79.03 92.86 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.1 p -174.76 156.67 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.456 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 p 39.43 42.34 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -126.94 -61.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.71 -163.54 18.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -123.35 136.58 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.09 168.41 17.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.53 161.11 27.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -92.22 -51.6 5.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.03 -93.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pm0 -98.67 83.99 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -128.49 71.95 80.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.6 Cg_endo -69.77 -33.23 16.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.327 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 7.4 m-85 -112.35 115.97 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.2 134.34 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.56 117.18 17.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 t -92.17 40.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -130.33 -38.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.7 p -125.54 -44.73 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.02 37.67 0.6 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -118.9 125.19 48.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.79 160.31 14.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 21.1 m-85 -140.01 130.6 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -56.08 -34.12 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -113.64 154.92 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -75.96 -47.26 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -44.52 -31.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -77.59 -48.18 17.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.22 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.489 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 48.5 t30 -52.03 -39.71 59.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 7.9 tt0 -78.31 -23.63 47.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.2 t60 -70.63 -57.36 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -38.84 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -47.99 -47.29 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -58.75 -23.21 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 26.8 m-70 -88.48 -17.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -118.6 62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.96 -37.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -103.73 130.4 51.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -111.88 150.06 41.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -169.74 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.0 t -124.6 41.66 3.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.29 -91.1 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 124.44 11.06 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -44.75 -59.26 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.6 p -57.19 119.92 7.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.184 -0.787 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -83.46 48.85 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.807 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m -113.21 -47.15 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.88 52.9 5.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 6' ' ' SER . 29.8 t -131.21 46.44 2.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.0 t -34.78 98.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.49 -112.51 0.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -60.04 132.09 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.06 -46.42 3.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.532 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -45.49 -33.5 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -39.82 142.65 0.64 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.4 Cg_endo -69.78 -1.3 8.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 5.8 m-85 -104.17 37.15 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -82.74 125.45 31.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -71.36 108.68 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.405 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 3.9 m -88.97 39.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 16' ' ' SER . 2.7 mp0 -122.84 -36.78 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.1 -39.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 52.97 0.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -119.09 166.15 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.16 149.18 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 4.8 m-85 -144.11 147.08 33.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CD2' ' HG3' ' A' ' 24' ' ' ARG . 45.5 p-80 -80.08 -34.89 37.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 19.8 mtm180 -102.64 148.45 25.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -64.62 -46.55 82.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 27' ' ' HIS . 8.7 t -50.8 -42.01 57.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 26' ' ' THR . 10.9 m170 -60.43 -49.25 78.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 41.7 tp -53.8 -50.99 64.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -61.53 -54.49 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -45.02 -41.65 7.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' ARG . 66.5 t60 -68.85 -55.66 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -41.69 -24.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' HIS . 71.9 mtp85 -49.91 -43.33 49.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -67.18 -18.58 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -88.91 -30.25 18.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 33' ' ' ARG . 5.4 t -94.76 143.09 26.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.73 -88.58 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.15 158.08 29.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -99.9 143.62 26.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.722 . . . . 0.0 110.814 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 133.8 26.34 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.225 . . . . 0.0 112.348 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -61.55 -46.4 90.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 43' ' ' PRO . . . -176.73 -62.95 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 42' ' ' GLY . 53.5 Cg_endo -69.83 100.18 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.8 p -168.23 167.06 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -46.62 143.84 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -157.15 147.33 20.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.354 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -149.44 133.84 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.01 55.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 6' ' ' SER . 78.3 p -133.45 -45.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' SER . 56.7 p -34.85 104.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 116.41 0.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.4 t -99.43 113.82 26.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.28 107.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.38 118.79 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -85.68 143.95 39.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -15.11 36.77 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.51 ' CE1' ' HB2' ' A' ' 25' ' ' HIS . 30.5 m-85 -96.75 97.33 9.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.03 97.65 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 19' ' ' GLY . 45.4 t -56.45 108.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.5 t -70.1 -33.72 72.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -43.84 -51.03 7.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -119.72 -37.13 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' CYS . . . 114.23 32.52 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -86.41 164.48 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.51 134.63 35.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 28' ' ' LEU . 38.2 m-85 -132.86 148.69 52.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -64.11 -52.97 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -104.0 166.06 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.6 t-80 -71.09 -48.36 52.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.3 p -40.15 -47.08 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 27.4 m170 -62.83 -53.87 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' HA ' ' CD1' ' A' ' 22' ' ' PHE . 10.6 tp -50.01 -54.54 19.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 28.5 t30 -59.27 -62.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' C ' ' HD2' ' A' ' 33' ' ' ARG . 44.4 mt-10 -46.39 -20.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' ARG . 8.3 t60 -86.94 -53.41 4.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 31' ' ' HIS . 28.4 mtt-85 -37.78 -27.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.503 ' HE ' ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -49.57 -47.17 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 pt -45.95 -20.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ARG . 58.9 m-70 -91.15 -33.59 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 33' ' ' ARG . 65.4 p -90.0 43.68 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.37 -72.7 1.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 1.1 p90 -121.46 141.09 51.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -116.93 143.91 32.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -91.26 -70.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.94 80.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.7 -8.73 24.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' PRO . 72.4 m -34.56 -64.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.5 p -90.72 128.09 36.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.493 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 t -90.55 113.19 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 49.87 41.95 23.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.85 80.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -63.68 -53.84 45.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -61.94 158.06 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.97 49.69 1.45 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.2 p -135.08 125.22 26.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.8 -31.42 3.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -70.97 123.93 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 110.841 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -107.25 154.39 40.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.584 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 53.9 Cg_endo -69.79 -28.05 25.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.606 ' O ' HD13 ' A' ' 28' ' ' LEU . 8.4 m-85 -100.57 26.47 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 pttm -80.75 146.84 30.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' LYS . 12.5 t -75.69 152.63 37.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -111.6 -31.95 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -52.25 -43.59 64.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.37 -38.08 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.94 18.35 5.16 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -67.12 159.88 27.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.54 141.57 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 69.7 m-85 -139.17 179.96 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -108.36 -45.69 3.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -109.47 137.91 46.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -46.13 -46.76 17.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 m -41.64 -59.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -54.76 -43.14 72.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 13' ' ' TYR . 15.0 tp -58.89 -54.93 41.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -58.44 -35.81 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.16 -48.3 76.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -58.72 -41.84 87.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mtt-85 -51.58 -16.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -52.67 -37.28 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.0 pt -75.76 -22.54 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.428 ' N ' HG13 ' A' ' 34' ' ' ILE . 22.8 m-70 -86.57 -26.13 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.7 t -98.75 -27.39 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.94 109.31 2.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -153.97 134.62 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.45 143.96 45.48 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 134.1 27.16 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -94.12 83.86 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -144.49 -72.69 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -33.17 16.79 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.0 p -159.17 122.45 3.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.0 p -122.19 -59.52 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.467 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -132.7 159.41 39.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -144.34 169.77 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.24 162.82 21.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -118.42 118.16 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -74.16 -55.87 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.91 -168.84 21.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -125.59 164.75 19.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.08 -166.72 34.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -111.47 -55.85 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 4.9 ttpm? 52.23 55.02 14.64 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.554 0.693 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HG2' ' CD2' ' A' ' 13' ' ' TYR . 54.0 Cg_endo -69.79 -44.52 2.01 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.391 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 5.8 m-85 -108.32 138.86 43.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -148.21 128.33 13.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.8 t -70.39 155.04 41.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 m -114.07 -33.38 5.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HB2' ' NE2' ' A' ' 35' ' ' HIS . 17.3 mm-40 -50.81 -53.96 27.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -107.18 -43.8 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.12 37.95 1.19 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -94.97 -179.18 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.19 143.69 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.85 125.37 22.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.533 ' CD2' ' HD3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -56.16 -23.0 32.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HD3' ' CD2' ' A' ' 23' ' ' HIS . 1.1 mpp_? -126.61 142.16 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.7 t-160 -58.51 -56.03 27.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' HIS . 85.5 m -34.25 -55.28 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -52.76 -47.24 67.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD11 ' HE ' ' A' ' 32' ' ' ARG . 5.6 tp -57.97 -61.05 2.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -41.48 -51.0 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -57.02 -56.7 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -49.34 -50.6 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HE ' HD11 ' A' ' 28' ' ' LEU . 66.8 mtt180 -43.51 -29.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HA ' HG22 ' A' ' 36' ' ' THR . 74.1 mtp85 -51.69 -41.72 61.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.8 pp -59.49 -26.71 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' NE2' ' HB2' ' A' ' 17' ' ' GLU . 63.8 m-70 -80.28 -33.55 37.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 33' ' ' ARG . 4.8 t -95.82 150.46 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.98 103.95 0.93 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -64.8 147.75 52.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.926 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -94.84 144.73 28.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.566 0.698 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.36 19.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 42' ' ' GLY . 17.0 m -56.08 -45.4 79.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -37.9 156.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 102.48 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 t -120.78 156.52 31.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.8 p -94.69 93.39 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.501 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -167.64 167.65 13.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -154.69 166.77 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.69 163.26 30.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -121.98 97.39 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 t -145.35 122.94 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.33 43.19 3.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 m -91.64 -58.06 2.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 92.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -121.94 107.35 12.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 22.9 mttm -134.78 69.98 71.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 53.7 Cg_endo -69.75 -12.65 33.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 2.1 m-85 -91.45 40.5 1.03 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -69.15 140.55 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 t -92.38 117.32 29.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.49 ' N ' ' OE2' ' A' ' 17' ' ' GLU . 93.7 p -92.89 38.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' OE2' ' N ' ' A' ' 16' ' ' SER . 1.9 mp0 -125.15 -44.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -123.01 -48.42 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.58 52.36 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -132.54 123.44 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB1' ' HB3' ' A' ' 11' ' ' LYS . . . -101.3 146.88 26.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.041 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -128.51 173.84 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 13' ' ' TYR . 10.8 p80 -100.66 -41.42 6.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -110.86 148.41 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 26' ' ' THR . 4.0 m80 -56.75 -54.91 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' HIS . 3.3 p -35.25 -42.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -67.65 -62.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 13' ' ' TYR . 57.6 tp -45.76 -47.15 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -61.66 -65.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -45.63 -31.88 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' HG12 ' A' ' 34' ' ' ILE . 28.0 t60 -73.26 -47.47 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -48.49 -18.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.4 mtp85 -52.8 -50.19 64.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 31' ' ' HIS . 5.6 pt -54.97 -18.78 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -93.31 -24.11 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -111.63 129.43 56.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -119.28 -76.23 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -142.8 151.52 41.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -125.62 142.04 40.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -1.05 7.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.629 2.219 . . . . 0.0 112.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -102.08 91.03 4.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.25 173.37 19.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.42 11.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -75.42 89.29 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.6 m -55.5 -52.34 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.469 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_